Research chemical
1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl-
CAS Number: 111536-73-3
Product details
Identity & specification
- Molecular formula
- C16H16N2
- Molecular weight
- 236.31 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
613466
Exact Mass
236.131349
InChIKey
ZFYHRUSMZXQQFT-UHFFFAOYSA-N
IUPAC Name
2-methyl-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
SMILES String
CC1CC(c2ccccc2)=Nc2ccccc2N1
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
18
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
24.39 Ų
Computed LogP
4.01
Fragment-like structure rule
Yes
Lead-like structure rule
No
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
1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl- (CAS 111536-73-3) is maintained as a commercial cas reference with formula C16H16N2, molecular weight 236. 31 g/mol, PubChem CID 613466.
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, fragment-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Applications & Classification
Biological target reference
ChEMBL reports experimental activity evidence for: Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Tyrosyl-DNA phosphodiesterase 1
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.
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 1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl- (CAS 111536-73-3)?
1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl- is identified by CAS 111536-73-3, with molecular formula C16H16N2, molecular weight 236.31, InChIKey ZFYHRUSMZXQQFT-UHFFFAOYSA-N.
Does CAS 111536-73-3 have reported biological target evidence?
ChEMBL contains qualifying experimental assay evidence associated with Tyrosyl-DNA phosphodiesterase 1. These records do not establish therapeutic efficacy or clinical use.
Can I request a COA for CAS 111536-73-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 1H-1,5-Benzodiazepine, 2,3-dihydro-2-methyl-4-phenyl-?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 111536-73-3 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.