Research chemical
XL-784 (free base)
CAS Number: 1356992-21-6
Product details
Identity & specification
- Molecular formula
- C21H22ClF2N3O8S
- Molecular weight
- 549.9 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
74439626
Exact Mass
549.07842
InChIKey
PRIJGYZAOBNIPH-UHFFFAOYSA-N
IUPAC Name
2-methoxyethyl 4-[4-(4-chlorophenoxy)-3,5-difluorophenyl]sulfonyl-3-(hydroxycarbamoyl)piperazine-1-carboxylate
SMILES String
COCCOC(=O)N1CCN(S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3)c(F)c2)C(C(=O)NO)C1
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
36
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
8
Ring count
3
Aromatic rings
2
Topological polar surface area
134.71 Ų
Computed LogP
2.37
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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
XL-784 (free base) (CAS 1356992-21-6) is maintained as a commercial cas reference with formula C21H22ClF2N3O8S, molecular weight 549. 90 g/mol, PubChem CID 74439626.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
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.
Catalog 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 questions
What are the key identifiers for XL-784 (free base) (CAS 1356992-21-6)?
XL-784 (free base) is identified by CAS 1356992-21-6, with molecular formula C21H22ClF2N3O8S, molecular weight 549.9, InChIKey PRIJGYZAOBNIPH-UHFFFAOYSA-N.
Can I request a COA for CAS 1356992-21-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for XL-784 (free base)?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 1356992-21-6 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.