6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
TL;DR: 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CAS 893777-06-5) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
Also Known As: AO-080/43441723, A4117/0175546, 6-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid, 6-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-ylcarbonyl)cyclohex-3-ene-1-carboxylic acid, 6-(2,3,4,5-tetrahydro-1H-1-benzazepin-1-ylcarbonyl)-3-cyclohexene-1-carboxylic acid
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 3.0229 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 608.10474 |
Chemical Identifiers
| CAS Number | 893777-06-5 |
|---|---|
| SMILES | C1CCN(C2=CC=CC=C2C1)C(=O)C3CC=CCC3C(=O)O |
Product Overview
6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid (CAS 893777-06-5), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 6-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid.
Chemical Property Profile of 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
Property Insights of 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid
The XLogP value of 3.0229 indicates that 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.61 Ų, 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The CAS number of 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is 893777-06-5.
What is the molecular formula of 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The molecular formula of 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is C18H21NO3.
What is the molecular weight of 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The molecular weight of 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid is 299.15 g/mol.
Where can I buy 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
You can request a quote for 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3,4,5-Tetrahydro-1-benzazepine-1-carbonyl)cyclohex-3-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.