![3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid structure](/static/products/5612/56120-71-9.webp)
3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid
TL;DR: 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid (CAS 56120-71-9) is a chemical compound with molecular formula C14H16ClNO3 and molecular weight 281.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid
Also Known As: 3-[3-chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid, 3-(3-chloro-4-isobutoxyphenyl)-2-cyanopropanoic acid, 3-Chloro-alpha-cyano-4-(2-methylpropoxy)benzenepropanoic Acid, 3-[3-chloro-4-(2-methylpropoxy)phenyl]-2-cyano-propanoic Acid, 3-?Chloro-??-?cyano-?4-?(2-?methylpropoxy)?benzenepropanoic Acid
| Molecular Formula | C14H16ClNO3 |
|---|---|
| Molecular Weight | 281.08 g/mol |
| LogP | 3.14168 |
| Topological Polar Surface Area | 70.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.08188 |
| Heavy Atoms | 19 |
| Complexity | 493.9547 |
Chemical Identifiers
| CAS Number | 56120-71-9 |
|---|---|
| SMILES | CC(C)COC1=C(C=C(C=C1)CC(C#N)C(=O)O)Cl |
Product Overview
3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid (CAS 56120-71-9), with molecular formula C14H16ClNO3 and molecular weight 281.08 g/mol. IUPAC: 3-[3-chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid.
Chemical Property Profile of 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid
Property Insights of 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid
The XLogP value of 3.14168 indicates that 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.32 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid. Following Lipinski's Rule of Five, 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic 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 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid?
The CAS number of 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid is 56120-71-9.
What is the molecular formula of 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid?
The molecular formula of 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid is C14H16ClNO3.
What is the molecular weight of 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid?
The molecular weight of 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid is 281.08 g/mol.
Where can I buy 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid?
You can request a quote for 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[3-Chloro-4-(2-methylpropoxy)phenyl]-2-cyanopropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.