1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester
TL;DR: 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester (CAS 34221-68-6) is a chemical compound with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(1H-indol-3-yl)-2,3-dihydro-1H-1-benzazepine-3,4-dicarboxylate
Also Known As: 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester, 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-(1H-indol-3-yl)-, dimethyl ester, 2,3-Dihydro-2- -1H-1-benzazepine-3,4-dicarboxylicaciddimethylester, 2,3-dihydro-2-1h-1-benzazepine-3,4-dicarboxylicaciddimethylester, 2,3-Dihydro-2-(1H-indol-3-yl)-1H-1-benzazepine-3,4-dicarboxylic acid dimethyl ester
| Molecular Formula | C22H20N2O4 |
|---|---|
| Molecular Weight | 376.14 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.1423 |
| Heavy Atoms | 28 |
| Complexity | 634.0 |
Chemical Identifiers
| CAS Number | 34221-68-6 |
|---|---|
| SMILES | COC(=O)C1C(NC2=CC=CC=C2C=C1C(=O)OC)C3=CNC4=CC=CC=C43 |
| InChIKey | TXJCSSAJMFAAMR-UHFFFAOYSA-N |
Product Overview
1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester (CAS 34221-68-6), with molecular formula C22H20N2O4 and molecular weight 376.14 g/mol. IUPAC: dimethyl 2-(1H-indol-3-yl)-2,3-dihydro-1H-1-benzazepine-3,4-dicarboxylate.
Chemical Property Profile of 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester
Property Insights of 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester
The XLogP value of 3.5 indicates that 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester. Following Lipinski's Rule of Five, 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester has 2 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-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester?
The CAS number of 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester is 34221-68-6.
What is the molecular formula of 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester?
The molecular formula of 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester is C22H20N2O4.
What is the molecular weight of 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester?
The molecular weight of 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester is 376.14 g/mol.
Where can I buy 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester?
You can request a quote for 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl 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-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1-Benzazepine-3,4-dicarboxylic acid, 2,3-dihydro-2-indol-3-yl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.