Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate
TL;DR: Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate (CAS 635700-03-7) is a chemical compound with molecular formula C18H14BrClN2O2S and molecular weight 435.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[7-bromo-5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetate
Also Known As: Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate, methyl 2-[7-bromo-5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetate, methyl 2-[7-bromo-5-(2-chlorophenyl)-2-thioxo-3H-benzo[f]1,4-diazepinyl]acetat e, Methyl [7-bromo-5-(2-chlorophenyl)-2-sulfanylidene-2,3-dihydro-1H-1,4-benzodiazepin-1-yl]acetate
| Molecular Formula | C18H14BrClN2O2S |
|---|---|
| Molecular Weight | 435.96 g/mol |
| LogP | 4.2603 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.96478 |
| Heavy Atoms | 25 |
| Complexity | 885.1298 |
Chemical Identifiers
| CAS Number | 635700-03-7 |
|---|---|
| SMILES | COC(=O)CN1C(=S)CN=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3Cl |
Product Overview
Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate (CAS 635700-03-7), with molecular formula C18H14BrClN2O2S and molecular weight 435.96 g/mol. IUPAC: methyl 2-[7-bromo-5-(2-chlorophenyl)-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]acetate.
Chemical Property Profile of Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate
Property Insights of Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate
The XLogP value of 4.2603 indicates that Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate has 0 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 Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate?
The CAS number of Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate is 635700-03-7.
What is the molecular formula of Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate?
The molecular formula of Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate is C18H14BrClN2O2S.
What is the molecular weight of Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate?
The molecular weight of Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate is 435.96 g/mol.
Where can I buy Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate?
You can request a quote for Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 7-bromo-5-(2-chlorophenyl)-2,3-dihydro-2-thioxo-1H-1,4-benzodiazepine-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.