3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
TL;DR: 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one (CAS 894-77-9) is a chemical compound with molecular formula C15H12ClN3O and molecular weight 285.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Also Known As: 3-Amino-7-chloro-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one, 3-Amino-7-chloro-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepin-2-one, 3-amino-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one, 5-25-15-00270 (Beilstein Handbook Reference), 1,3-Dihydro-3-amino-7-chloro-5-phenyl-2H-1,4-benzodiazepin-2-one
| Molecular Formula | C15H12ClN3O |
|---|---|
| Molecular Weight | 285.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.0669 |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 894-77-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)N |
| InChIKey | TUINAAYXMRLCEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one (CAS 894-77-9), with molecular formula C15H12ClN3O and molecular weight 285.07 g/mol. IUPAC: 3-amino-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one.
Chemical Property Profile of 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
Property Insights of 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one. Following Lipinski's Rule of Five, 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one has 2 hydrogen bond donor(s) and 3 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 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one?
The CAS number of 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one is 894-77-9.
What is the molecular formula of 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one?
The molecular formula of 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one is C15H12ClN3O.
What is the molecular weight of 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one?
The molecular weight of 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one is 285.07 g/mol.
Where can I buy 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one?
You can request a quote for 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-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 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-7-chloro-1,3-dihydro-5-phenyl-2H-1,4-benzodiazepin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.