1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester
TL;DR: 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester (CAS 121635-59-4) is a chemical compound with molecular formula C23H37N3O3 and molecular weight 403.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[2-[bis(2-methylpropyl)amino]acetyl]-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-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester, 1H-1,5-Benzodiazepine-2-carboxylicacid, 5-[2-[bis(2-methylpropyl)amino]acetyl]-2,3,4,5-tetrahydro-4-methyl-,ethyl ester, ethyl 5-[2-[bis(2-methylpropyl)amino]acetyl]-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate, Ethyl 5-[N,N-bis(2-methylpropyl)glycyl]-4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-2-carboxylate, RefChem:237212
| Molecular Formula | C23H37N3O3 |
|---|---|
| Molecular Weight | 403.28 g/mol |
| LogP | 3.7694 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 403.28348 |
| Heavy Atoms | 29 |
| Complexity | 679.70056 |
Chemical Identifiers
| CAS Number | 121635-59-4 |
|---|---|
| SMILES | CCOC(=O)C1CC(N(C2=CC=CC=C2N1)C(=O)CN(CC(C)C)CC(C)C)C |
Product Overview
1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester (CAS 121635-59-4), with molecular formula C23H37N3O3 and molecular weight 403.28 g/mol. IUPAC: ethyl 5-[2-[bis(2-methylpropyl)amino]acetyl]-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-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester
Property Insights of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester
The XLogP value of 3.7694 indicates that 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester. Following Lipinski's Rule of Five, 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester has 1 hydrogen bond donor(s) and 5 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-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester?
The CAS number of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester is 121635-59-4.
What is the molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester?
The molecular formula of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester is C23H37N3O3.
What is the molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester?
The molecular weight of 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester is 403.28 g/mol.
Where can I buy 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester?
You can request a quote for 1H-1,5-Benzodiazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-5-((bis(2-methylpropyl)amino)acetyl)-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-((bis(2-methylpropyl)amino)acetyl)-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-((bis(2-methylpropyl)amino)acetyl)-4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.