3-(3-Chloro-4-methylphenyl)propanoic acid
TL;DR: 3-(3-Chloro-4-methylphenyl)propanoic acid (CAS 878466-41-2) is a chemical compound with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-methylphenyl)propanoic acid
Also Known As: 3-(3-chloro-4-methylphenyl)propanoic acid, 3-(3-chloro-4-methyl-phenyl)propanoic Acid, 3-(3-Chloro-4-methyl-phenyl)-propionic acid, 3-(3-chloro-4-methylphenyl)propanoicacid, 3-(3'-Chloro-4'-methylphenyl)propionic acid
| Molecular Formula | C10H11ClO2 |
|---|---|
| Molecular Weight | 198.04 g/mol |
| LogP | 2.66562 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.04475 |
| Heavy Atoms | 13 |
| Complexity | 320.70084 |
Chemical Identifiers
| CAS Number | 878466-41-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CCC(=O)O)Cl |
Product Overview
3-(3-Chloro-4-methylphenyl)propanoic acid (CAS 878466-41-2), with molecular formula C10H11ClO2 and molecular weight 198.04 g/mol. IUPAC: 3-(3-chloro-4-methylphenyl)propanoic acid.
Chemical Property Profile of 3-(3-Chloro-4-methylphenyl)propanoic acid
Property Insights of 3-(3-Chloro-4-methylphenyl)propanoic acid
The XLogP value of 2.66562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-4-methylphenyl)propanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3-Chloro-4-methylphenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Chloro-4-methylphenyl)propanoic acid has 1 hydrogen bond donor(s) and 1 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-methylphenyl)propanoic acid?
The CAS number of 3-(3-Chloro-4-methylphenyl)propanoic acid is 878466-41-2.
What is the molecular formula of 3-(3-Chloro-4-methylphenyl)propanoic acid?
The molecular formula of 3-(3-Chloro-4-methylphenyl)propanoic acid is C10H11ClO2.
What is the molecular weight of 3-(3-Chloro-4-methylphenyl)propanoic acid?
The molecular weight of 3-(3-Chloro-4-methylphenyl)propanoic acid is 198.04 g/mol.
Where can I buy 3-(3-Chloro-4-methylphenyl)propanoic acid?
You can request a quote for 3-(3-Chloro-4-methylphenyl)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-(3-Chloro-4-methylphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-methylphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.