1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester
TL;DR: 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester (CAS 98987-13-4) is a chemical compound with molecular formula C26H26N2O4 and molecular weight 430.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid
Also Known As: 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester, 3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid, 3-Ethyl-4-(methoxycarbonyl)-2,8-diphenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylic acid, RefChem:1057747
| Molecular Formula | C26H26N2O4 |
|---|---|
| Molecular Weight | 430.19 g/mol |
| LogP | 5.5726 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.18927 |
| Heavy Atoms | 32 |
| Complexity | 1101.3245 |
Chemical Identifiers
| CAS Number | 98987-13-4 |
|---|---|
| SMILES | CCC1C(N(C2=C(C=CC(=C2)C3=CC=CC=C3)NC1C(=O)OC)C(=O)O)C4=CC=CC=C4 |
Product Overview
1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester (CAS 98987-13-4), with molecular formula C26H26N2O4 and molecular weight 430.19 g/mol. IUPAC: 3-ethyl-2-methoxycarbonyl-4,7-diphenyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-5-carboxylic acid.
Chemical Property Profile of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester
Property Insights of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester
The XLogP value of 5.5726 indicates that 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester is 98987-13-4.
What is the molecular formula of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester is C26H26N2O4.
What is the molecular weight of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester is 430.19 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl 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-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.