7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
TL;DR: 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate (CAS 70030-10-3) is a chemical compound with molecular formula C17H12BrClN2O3 and molecular weight 405.97 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] acetate
Also Known As: 3-Hydroxyphenazepam Acetate, 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate, [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate, 2H-1,4-Benzodiazepin-2-one, 3-(acetyloxy)-7-bromo-5-(2-chlorophenyl)-1,3-dihydro-, 7-bromo-5-(2-chlorophenyl)-2-oxo-1H,3H-benzo[f]1,4-diazepin-3-yl acetate
| Molecular Formula | C17H12BrClN2O3 |
|---|---|
| Molecular Weight | 405.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.972 |
| Heavy Atoms | 24 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 70030-10-3 |
|---|---|
| SMILES | CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3Cl |
| InChIKey | WFNOHKYMHSJTSM-UHFFFAOYSA-N |
Product Overview
7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate (CAS 70030-10-3), with molecular formula C17H12BrClN2O3 and molecular weight 405.97 g/mol. IUPAC: [7-bromo-5-(2-chlorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl] acetate.
Chemical Property Profile of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
Property Insights of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate
The XLogP value of 3.0 indicates that 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate 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-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate. Following Lipinski's Rule of Five, 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate 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-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
The CAS number of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate is 70030-10-3.
What is the molecular formula of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
The molecular formula of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate is C17H12BrClN2O3.
What is the molecular weight of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
The molecular weight of 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate is 405.97 g/mol.
Where can I buy 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
You can request a quote for 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate 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-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-Bromo-5-(2-chlorophenyl)-2-oxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.