4-Cyano-4-(3-methoxyphenyl)pentanoic acid
TL;DR: 4-Cyano-4-(3-methoxyphenyl)pentanoic acid (CAS 2714-92-3) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-cyano-4-(3-methoxyphenyl)pentanoic acid
Also Known As: 4-cyano-4-(3-methoxyphenyl)pentanoic acid, Benzenebutanoic acid, g-cyano-3-methoxy-g-methyl-
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 2714-92-3 |
|---|---|
| SMILES | CC(CCC(=O)O)(C#N)C1=CC(=CC=C1)OC |
| InChIKey | VFJAQSSXDZVXJE-UHFFFAOYSA-N |
Product Overview
4-Cyano-4-(3-methoxyphenyl)pentanoic acid (CAS 2714-92-3), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: 4-cyano-4-(3-methoxyphenyl)pentanoic acid.
Chemical Property Profile of 4-Cyano-4-(3-methoxyphenyl)pentanoic acid
Property Insights of 4-Cyano-4-(3-methoxyphenyl)pentanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-4-(3-methoxyphenyl)pentanoic acid. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-4-(3-methoxyphenyl)pentanoic acid. Following Lipinski's Rule of Five, 4-Cyano-4-(3-methoxyphenyl)pentanoic acid 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 4-Cyano-4-(3-methoxyphenyl)pentanoic acid?
The CAS number of 4-Cyano-4-(3-methoxyphenyl)pentanoic acid is 2714-92-3.
What is the molecular formula of 4-Cyano-4-(3-methoxyphenyl)pentanoic acid?
The molecular formula of 4-Cyano-4-(3-methoxyphenyl)pentanoic acid is C13H15NO3.
What is the molecular weight of 4-Cyano-4-(3-methoxyphenyl)pentanoic acid?
The molecular weight of 4-Cyano-4-(3-methoxyphenyl)pentanoic acid is 233.11 g/mol.
Where can I buy 4-Cyano-4-(3-methoxyphenyl)pentanoic acid?
You can request a quote for 4-Cyano-4-(3-methoxyphenyl)pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-4-(3-methoxyphenyl)pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-4-(3-methoxyphenyl)pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.