7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate
TL;DR: 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate (CAS 172986-29-7) is a chemical compound with molecular formula C22H14BrClN2O3 and molecular weight 467.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] benzoate
Also Known As: ChemDiv1_023687, AF-399/40653328, 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate, [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] benzoate, 7-bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl benzoate
| Molecular Formula | C22H14BrClN2O3 |
|---|---|
| Molecular Weight | 467.99 g/mol |
| LogP | 5.0751 |
| Topological Polar Surface Area | 67.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.98764 |
| Heavy Atoms | 29 |
| Complexity | 1131.9111 |
Chemical Identifiers
| CAS Number | 172986-29-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2C(=O)NC3=C(C=C(C=C3)Br)C(=N2)C4=CC=CC=C4Cl |
Product Overview
7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate (CAS 172986-29-7), with molecular formula C22H14BrClN2O3 and molecular weight 467.99 g/mol. IUPAC: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] benzoate.
Chemical Property Profile of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate
Property Insights of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate
The XLogP value of 5.0751 indicates that 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate. Following Lipinski's Rule of Five, 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate?
The CAS number of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate is 172986-29-7.
What is the molecular formula of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate?
The molecular formula of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate is C22H14BrClN2O3.
What is the molecular weight of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate?
The molecular weight of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate is 467.99 g/mol.
Where can I buy 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate?
You can request a quote for 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.