2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
TL;DR: 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one (CAS 557102-67-7) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: ChemDiv1_028331, MixCom6_000523, 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one, 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one, BAS 00462483
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 41.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 557102-67-7 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)NC(=O)CN=C2C3=CC=CC=C3 |
| InChIKey | ZZLQGKUTUGIQNL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one (CAS 557102-67-7), with molecular formula C16H14N2O and molecular weight 250.11 g/mol. IUPAC: 7-methyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
Property Insights of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 41.5 Ų, 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
The CAS number of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one is 557102-67-7.
What is the molecular formula of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
The molecular formula of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one is C16H14N2O.
What is the molecular weight of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
The molecular weight of 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one is 250.11 g/mol.
Where can I buy 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
You can request a quote for 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dihydro-7-methyl-5-phenyl-1H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.