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 372.12408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Technical Specifications
| Molecular Formula | C20H21ClN2O3 |
| Molecular Weight | 372.12408 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.12408 Da |
| Heavy Atoms | 26 |
| Complexity | 507.0 |
| SMILES | CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)C3=CC=C(C=C3)Cl)C |
| InChIKey | IAXIOVHILHQPOZ-UHFFFAOYSA-N |
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 4.4 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 58.6 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
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 372.12408 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-(4-chlorobenzoyl)-4-methyl-, ethyl ester?
Yes, CoreyChem 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.