5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester
TL;DR: 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester (CAS 121635-55-0) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 5-benzoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate
Also Known As: 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-benzoyl-4-methyl-, ethyl ester, ethyl 5-benzoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate, 1H-1,5-Benzodiazepine-2-carboxylicacid, 5-benzoyl-2,3,4,5-tetrahydro-4-methyl-, ethyl ester, 1H-1,5-Benzodiazepine-2-carboxylicacid,5-benzoyl-2,3,4,5-tetrahydro-4-methyl-,ethyl ester
Technical Specifications
| Molecular Formula | C20H22N2O3 |
| Molecular Weight | 338.16306 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 58.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.16306 Da |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
| SMILES | CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3)C |
| InChIKey | IPMGWPYQRAZFPN-UHFFFAOYSA-N |
Chemical Property Profile of 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester
Property Insights of 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester
The XLogP value of 3.8 indicates that 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid 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, 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid 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 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester?
The CAS number of 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester is 121635-55-0.
What is the molecular formula of 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester?
The molecular formula of 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester is C20H22N2O3.
What is the molecular weight of 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester?
The molecular weight of 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester is 338.16306 g/mol.
Where can I buy 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester?
You can request a quote for 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester?
Yes, CoreyChem provides custom synthesis services for 5-Benzoyl-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.