(2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid
TL;DR: (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid (CAS 58537-08-9) is a chemical compound with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-chloro-4-methylphenyl)prop-2-enoic acid
Also Known As: 3-(3-chloro-4-methylphenyl)prop-2-enoic acid, (2E)-3-(3-CHLORO-4-METHYLPHENYL)PROP-2-ENOIC ACID, 3-(3-chloro-4-methylphenyl)acrylic acid, (E)-3-(3-chloro-4-methylphenyl)prop-2-enoic acid, (2E)-3-(3-chloro-4-methylphenyl)acrylic acid
| Molecular Formula | C10H9ClO2 |
|---|---|
| Molecular Weight | 196.03 g/mol |
| LogP | 2.74622 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 196.02911 |
| Heavy Atoms | 13 |
| Complexity | 355.9424 |
Chemical Identifiers
| CAS Number | 58537-08-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)/C=C/C(=O)O)Cl |
Product Overview
(2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid (CAS 58537-08-9), with molecular formula C10H9ClO2 and molecular weight 196.03 g/mol. IUPAC: (E)-3-(3-chloro-4-methylphenyl)prop-2-enoic acid.
Chemical Property Profile of (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid
Property Insights of (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid
The XLogP value of 2.74622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic 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 (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid?
The CAS number of (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid is 58537-08-9.
What is the molecular formula of (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid?
The molecular formula of (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid is C10H9ClO2.
What is the molecular weight of (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid?
The molecular weight of (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid is 196.03 g/mol.
Where can I buy (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid?
You can request a quote for (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-3-(3-Chloro-4-methylphenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.