1-Methyl-4-phenylazepane-4-carboxylic acid
TL;DR: 1-Methyl-4-phenylazepane-4-carboxylic acid (CAS 7475-57-2) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenylazepane-4-carboxylic acid
Also Known As: 1-methyl-4-phenylazepane-4-carboxylic acid, 1-methyl-4-phenyl-azepane-4-carboxylic acid, 1H-Azepine-4-carboxylic acid, hexahydro-1-methyl-4-phenyl-, Hexahydro-1-methyl-4-phenyl-1H-azepine-4-carboxylic acid, 1-Methyl-4-phenylazacyclohept-4-ylcarboxylic acid, hydrate [10:3]
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 7475-57-2 |
|---|---|
| SMILES | CN1CCCC(CC1)(C2=CC=CC=C2)C(=O)O |
| InChIKey | RJTBKADDKPPZOZ-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-phenylazepane-4-carboxylic acid (CAS 7475-57-2), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: 1-methyl-4-phenylazepane-4-carboxylic acid.
Chemical Property Profile of 1-Methyl-4-phenylazepane-4-carboxylic acid
Property Insights of 1-Methyl-4-phenylazepane-4-carboxylic acid
The XLogP value of -0.2 indicates that 1-Methyl-4-phenylazepane-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 1-Methyl-4-phenylazepane-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-phenylazepane-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 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 1-Methyl-4-phenylazepane-4-carboxylic acid?
The CAS number of 1-Methyl-4-phenylazepane-4-carboxylic acid is 7475-57-2.
What is the molecular formula of 1-Methyl-4-phenylazepane-4-carboxylic acid?
The molecular formula of 1-Methyl-4-phenylazepane-4-carboxylic acid is C14H19NO2.
What is the molecular weight of 1-Methyl-4-phenylazepane-4-carboxylic acid?
The molecular weight of 1-Methyl-4-phenylazepane-4-carboxylic acid is 233.14 g/mol.
Where can I buy 1-Methyl-4-phenylazepane-4-carboxylic acid?
You can request a quote for 1-Methyl-4-phenylazepane-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-phenylazepane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-phenylazepane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.