7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate
TL;DR: 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate (CAS 172986-26-4) is a chemical compound with molecular formula C18H14BrClN2O3 and molecular weight 419.99 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] propanoate
Also Known As: ChemDiv1_023599, 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate, [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] propanoate, 1,4-Benzodiazepin-3-ol, 7-bromo-2,3(1H)-dihydro-5-(2-chlorophenyl)-2-oxo-, propanoate, 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl propionate #
| Molecular Formula | C18H14BrClN2O3 |
|---|---|
| Molecular Weight | 419.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.98764 |
| Heavy Atoms | 25 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 172986-26-4 |
|---|---|
| SMILES | CCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl |
| InChIKey | ZUVZBTSEBFDTFI-UHFFFAOYSA-N |
Product Overview
7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate (CAS 172986-26-4), with molecular formula C18H14BrClN2O3 and molecular weight 419.99 g/mol. IUPAC: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] propanoate.
Chemical Property Profile of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate
Property Insights of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate
The XLogP value of 3.5 indicates that 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 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 propanoate. Following Lipinski's Rule of Five, 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate has 1 hydrogen bond donor(s) and 4 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 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate?
The CAS number of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate is 172986-26-4.
What is the molecular formula of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate?
The molecular formula of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate is C18H14BrClN2O3.
What is the molecular weight of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate?
The molecular weight of 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate is 419.99 g/mol.
Where can I buy 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate?
You can request a quote for 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate 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 propanoate?
Yes, KEHONG BIO provides custom synthesis services for 7-bromo-5-(2-chlorophenyl)-2-hydroxy-3H-1,4-benzodiazepin-3-yl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.