1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester
TL;DR: 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester (CAS 17639-49-5) is a chemical compound with molecular formula C13H15NO4 and molecular weight 249.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-methoxy-4-oxo-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylate
Also Known As: 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester, methyl 8-methoxy-4-oxo-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylate, Methyl 8-methoxy-4-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine-2-carboxylate, 2,3,4,5-Tetrahydro-8-methoxy-4-oxo-1H-3-benzazepine-2-carboxylic acid methyl ester, Methyl 8-methoxy-4-oxo-2,3,4,5-tetrahydro-1H-3-benzazepine-2-carboxylate #
| Molecular Formula | C13H15NO4 |
|---|---|
| Molecular Weight | 249.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.10011 |
| Heavy Atoms | 18 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 17639-49-5 |
|---|---|
| SMILES | COC1=CC2=C(CC(=O)NC(C2)C(=O)OC)C=C1 |
| InChIKey | QWXGDSIAAZSFDS-UHFFFAOYSA-N |
Product Overview
1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester (CAS 17639-49-5), with molecular formula C13H15NO4 and molecular weight 249.10 g/mol. IUPAC: methyl 8-methoxy-4-oxo-1,2,3,5-tetrahydro-3-benzazepine-2-carboxylate.
Chemical Property Profile of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester
Property Insights of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester. Following Lipinski's Rule of Five, 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl 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
Frequently Asked Questions
What is the CAS number of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester?
The CAS number of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester is 17639-49-5.
What is the molecular formula of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester?
The molecular formula of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester is C13H15NO4.
What is the molecular weight of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester?
The molecular weight of 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester is 249.10 g/mol.
Where can I buy 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester?
You can request a quote for 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, 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-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-3-Benzazepine-2-carboxylic acid, 2,3,4,5-tetrahydro-8-methoxy-4-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.