3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid
TL;DR: 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid (CAS 5438-40-4) is a chemical compound with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
Also Known As: 3-(3-Chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid, 5-Chlor-4-hydroxy-3-methoxy-trans-zimtsaeure, 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid, (2E)-3-(3-CHLORO-4-HYDROXY-5-METHOXYPHENYL)ACRYLIC ACID, (2E)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
| Molecular Formula | C10H9ClO4 |
|---|---|
| Molecular Weight | 228.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.01894 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 5438-40-4 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=CC(=O)O)Cl)O |
| InChIKey | JPBRRRVTXWVBIF-UHFFFAOYSA-N |
Product Overview
3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid (CAS 5438-40-4), with molecular formula C10H9ClO4 and molecular weight 228.02 g/mol. IUPAC: 3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid
Property Insights of 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid has 2 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 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid?
The CAS number of 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid is 5438-40-4.
What is the molecular formula of 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid?
The molecular formula of 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid is C10H9ClO4.
What is the molecular weight of 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid?
The molecular weight of 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid is 228.02 g/mol.
Where can I buy 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid?
You can request a quote for 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic 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-hydroxy-5-methoxy-phenyl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.