![3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid structure](/static/products/4007/400751-42-0.webp)
3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid
TL;DR: 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid (CAS 400751-42-0) is a chemical compound with molecular formula C12H9ClO3 and molecular weight 236.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-chloro-2-prop-2-ynoxyphenyl)prop-2-enoic acid
Also Known As: 3-[5-chloro-2-(2-propynyloxy)phenyl]acrylic acid, 3-[5-chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid, 3-(5-chloro-2-prop-2-ynoxyphenyl)prop-2-enoic acid, 3-(5-chloro-2-prop-2-ynoxy-phenyl)prop-2-enoic Acid, (E)-3-[5-chloro-2-(2-propynyloxy)phenyl] -2-propenoic acid
| Molecular Formula | C12H9ClO3 |
|---|---|
| Molecular Weight | 236.02 g/mol |
| LogP | 2.4498 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.02402 |
| Heavy Atoms | 16 |
| Complexity | 457.82193 |
Chemical Identifiers
| CAS Number | 400751-42-0 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C=C1)Cl)C=CC(=O)O |
Product Overview
3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid (CAS 400751-42-0), with molecular formula C12H9ClO3 and molecular weight 236.02 g/mol. IUPAC: 3-(5-chloro-2-prop-2-ynoxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid
Property Insights of 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid
The XLogP value of 2.4498 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid has 1 hydrogen bond donor(s) and 2 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-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid?
The CAS number of 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid is 400751-42-0.
What is the molecular formula of 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid?
The molecular formula of 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid is C12H9ClO3.
What is the molecular weight of 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid?
The molecular weight of 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid is 236.02 g/mol.
Where can I buy 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid?
You can request a quote for 3-[5-Chloro-2-(prop-2-yn-1-yloxy)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-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[5-Chloro-2-(prop-2-yn-1-yloxy)phenyl]prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.