1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl ester
TL;DR: 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl ester (CAS 98987-12-3) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-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-methyl ester, 2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-1,5-benzodiazepine-5-carboxylic acid, 3-methoxycarbonyl-5-phenyl-3-propyl-2,6-diazabicyclo[5.4.0]undeca-7,9,11-triene-6-carboxylic Acid, 4-(Methoxycarbonyl)-2-phenyl-4-propyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxylic acid, RefChem:1057746
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 4.4398 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 823.94116 |
Chemical Identifiers
| CAS Number | 98987-12-3 |
|---|---|
| SMILES | CCCC1(CC(N(C2=CC=CC=C2N1)C(=O)O)C3=CC=CC=C3)C(=O)OC |
Product Overview
1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl ester (CAS 98987-12-3), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: 2-methoxycarbonyl-4-phenyl-2-propyl-3,4-dihydro-1H-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-methyl ester
Property Insights of 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl ester
The XLogP value of 4.4398 indicates that 1H-1,5-Benzodiazepine-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl 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-methyl 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-methyl ester has 2 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-2,5-dicarboxylic acid, 2,3,4,5-tetrahydro-2-methyl-4-phenyl-, 2-ethyl 5-methyl 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-methyl ester is 98987-12-3.
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-methyl 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-methyl ester is C21H24N2O4.
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-methyl 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-methyl ester is 368.17 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-methyl 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-methyl 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-methyl 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-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.