1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester
TL;DR: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester (CAS 121635-56-1) is a chemical compound with molecular formula C20H21ClN2O3 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate
Also Known As: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester, ethyl 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate, Ethyl 5-(4-chlorobenzoyl)-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate, Ethyl 2-(4-chlorobenzoyl)-3-methyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-triene-5-carboxylate, RefChem:1057758
| Molecular Formula | C20H21ClN2O3 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 4.1226 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 372.12408 |
| Heavy Atoms | 26 |
| Complexity | 806.9585 |
Chemical Identifiers
| CAS Number | 121635-56-1 |
|---|---|
| SMILES | CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)Cl)C |
Product Overview
1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester (CAS 121635-56-1), with molecular formula C20H21ClN2O3 and molecular weight 372.12 g/mol. IUPAC: ethyl 5-(4-chlorobenzoyl)-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate.
Chemical Property Profile of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester
Property Insights of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester
The XLogP value of 4.1226 indicates that 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester 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 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester is 121635-56-1.
What is the molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester is C20H21ClN2O3.
What is the molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester is 372.12 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.