8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
TL;DR: 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 29176-29-2) is a chemical compound with molecular formula C15H13ClN2O and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
Also Known As: Lofendazam, Lofendazamum, Lofendazam [INN:BAN], Lofendazamum [INN-Latin], Lofendazam [BAN:INN]
| Molecular Formula | C15H13ClN2O |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 272.07166 |
| Heavy Atoms | 19 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 29176-29-2 |
|---|---|
| SMILES | C1CNC2=C(C=C(C=C2)Cl)N(C1=O)C3=CC=CC=C3 |
| InChIKey | IUJQOUHDFKALCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one (CAS 29176-29-2), with molecular formula C15H13ClN2O and molecular weight 272.07 g/mol. IUPAC: 7-chloro-5-phenyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one.
Chemical Property Profile of 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
Property Insights of 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one. With a topological polar surface area (TPSA) of 32.3 Ų, 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-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 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The CAS number of 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 29176-29-2.
What is the molecular formula of 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular formula of 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is C15H13ClN2O.
What is the molecular weight of 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
The molecular weight of 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one is 272.07 g/mol.
Where can I buy 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
You can request a quote for 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-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 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 8-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.