Propionic acid, 2-(3-chloro-4-isobutylphenyl)-
TL;DR: Propionic acid, 2-(3-chloro-4-isobutylphenyl)- (CAS 58880-41-4) is a chemical compound with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic acid
Also Known As: TAI 255, 2-(3-Chloro-4-isobutylphenyl)propionic acid, Propionic acid, 2-(3-chloro-4-isobutylphenyl)-, 2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic acid, Benzeneacetic acid, 3-chloro-alpha-methyl-4-(2-methylpropyl)-
| Molecular Formula | C13H17ClO2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 3.7266 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 240.0917 |
| Heavy Atoms | 16 |
| Complexity | 385.519 |
Chemical Identifiers
| CAS Number | 58880-41-4 |
|---|---|
| SMILES | CC(C)CC1=C(C=C(C=C1)C(C)C(=O)O)Cl |
Product Overview
Propionic acid, 2-(3-chloro-4-isobutylphenyl)- (CAS 58880-41-4), with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol. IUPAC: 2-[3-chloro-4-(2-methylpropyl)phenyl]propanoic acid.
Chemical Property Profile of Propionic acid, 2-(3-chloro-4-isobutylphenyl)-
Property Insights of Propionic acid, 2-(3-chloro-4-isobutylphenyl)-
The XLogP value of 3.7266 indicates that Propionic acid, 2-(3-chloro-4-isobutylphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Propionic acid, 2-(3-chloro-4-isobutylphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-(3-chloro-4-isobutylphenyl)- 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 Propionic acid, 2-(3-chloro-4-isobutylphenyl)-?
The CAS number of Propionic acid, 2-(3-chloro-4-isobutylphenyl)- is 58880-41-4.
What is the molecular formula of Propionic acid, 2-(3-chloro-4-isobutylphenyl)-?
The molecular formula of Propionic acid, 2-(3-chloro-4-isobutylphenyl)- is C13H17ClO2.
What is the molecular weight of Propionic acid, 2-(3-chloro-4-isobutylphenyl)-?
The molecular weight of Propionic acid, 2-(3-chloro-4-isobutylphenyl)- is 240.09 g/mol.
Where can I buy Propionic acid, 2-(3-chloro-4-isobutylphenyl)-?
You can request a quote for Propionic acid, 2-(3-chloro-4-isobutylphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2-(3-chloro-4-isobutylphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-(3-chloro-4-isobutylphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.