3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid
TL;DR: 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid (CAS 92071-51-7) is a chemical compound with molecular formula C17H23NO3 and molecular weight 289.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid
Also Known As: Rotraxate, Rotraxato, traxaprone, Rotraxatum, Rotraxate [INN]
| Molecular Formula | C17H23NO3 |
|---|---|
| Molecular Weight | 289.17 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.1678 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 92071-51-7 |
|---|---|
| SMILES | C1CC(CCC1CN)C(=O)C2=CC=C(C=C2)CCC(=O)O |
| InChIKey | NVBZUCIQNYPGCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid (CAS 92071-51-7), with molecular formula C17H23NO3 and molecular weight 289.17 g/mol. IUPAC: 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid.
Chemical Property Profile of 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid
Property Insights of 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid
The XLogP value of -0.4 indicates that 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid. Following Lipinski's Rule of Five, 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid has 2 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 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid?
The CAS number of 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid is 92071-51-7.
What is the molecular formula of 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid?
The molecular formula of 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid is C17H23NO3.
What is the molecular weight of 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid?
The molecular weight of 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid is 289.17 g/mol.
Where can I buy 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid?
You can request a quote for 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-((4-(Aminomethyl)cyclohexyl)carbonyl)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.