Research chemical
ML-9 free base
CAS Number: 110448-31-2
Product details
Identity & specification
- Molecular formula
- C15H17ClN2O2S
- Molecular weight
- 324.8 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
4217
Exact Mass
324.069927
InChIKey
OZSMSRIUUDGTEP-UHFFFAOYSA-N
IUPAC Name
1-(5-chloronaphthalen-1-yl)sulfonyl-1,4-diazepane
SMILES String
C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl
Physical Properties
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
21
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
2
Ring count
3
Aromatic rings
2
Topological polar surface area
49.41 Ų
Computed LogP
2.48
Fragment-like structure rule
No
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Catalog Facts
Structural features
ML-9 free base (CAS 110448-31-2) is maintained as a cataloged research chemical with formula C15H17ClN2O2S, molecular weight 324. 80 g/mol, PubChem CID 4217.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, package-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, lead-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Myosin light chain kinase, smooth muscle (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Nuclear factor NF-kappa-B p105 subunit (Homo sapiens) — 2 assays; Cytochrome P450 2D6 (Homo sapiens) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Myosin light chain kinase, smooth muscle
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 2 documents · best pChEMBL 5.42
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.4
Experimental evidence source: ChEMBL
Nuclear factor NF-kappa-B p105 subunit
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.05
Experimental evidence source: ChEMBL
Cytochrome P450 2D6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.6
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement notes
Sourcing context and documentation notes
Show details
Procurement notes
Sourcing context and documentation notes
MolGraph uses public price and availability evidence as a starting point, then confirms current stock, quotation, COA/SDS, lot specification, lead time, and shipment documentation before final acceptance.
Package and specification
Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Final lot confirmation
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supply documentation
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Quotation review
Final quote depends on quantity, lead time, destination, and supplier confirmation.
Procurement questions
Is CAS 110448-31-2 in stock?
ML-9 free base is in stock. Estimated delivery: 5–9 business days. Submit an RFQ to confirm final price, lot specification, documentation, and destination-specific shipping terms.
How is the final price confirmed?
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Can MolGraph provide COA or SDS for CAS 110448-31-2?
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.