4-Phenylazepane-4-carboxylic acid
TL;DR: 4-Phenylazepane-4-carboxylic acid (CAS 109435-13-4) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylazepane-4-carboxylic acid
Also Known As: 4-phenylazepane-4-carboxylic acid, 4-phenylazepane-4-carboxylicacid, NCI60_011707, 4-Phenyl-4-azepanecarboxylic acid hydrochloride, 4-Phenylazacyclohept-4-ylcarboxylic acid hydrochloride
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 109435-13-4 |
|---|---|
| SMILES | C1CC(CCNC1)(C2=CC=CC=C2)C(=O)O |
| InChIKey | NQSGPFNCELQCMD-UHFFFAOYSA-N |
Product Overview
4-Phenylazepane-4-carboxylic acid (CAS 109435-13-4), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 4-phenylazepane-4-carboxylic acid.
Chemical Property Profile of 4-Phenylazepane-4-carboxylic acid
Property Insights of 4-Phenylazepane-4-carboxylic acid
The XLogP value of -0.6 indicates that 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 49.3 Ų, 4-Phenylazepane-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylazepane-4-carboxylic acid has 2 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 4-Phenylazepane-4-carboxylic acid?
The CAS number of 4-Phenylazepane-4-carboxylic acid is 109435-13-4.
What is the molecular formula of 4-Phenylazepane-4-carboxylic acid?
The molecular formula of 4-Phenylazepane-4-carboxylic acid is C13H17NO2.
What is the molecular weight of 4-Phenylazepane-4-carboxylic acid?
The molecular weight of 4-Phenylazepane-4-carboxylic acid is 219.13 g/mol.
Where can I buy 4-Phenylazepane-4-carboxylic acid?
You can request a quote for 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 4-Phenylazepane-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylazepane-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.