![5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid structure](/static/products/6217/62176-24-3.webp)
5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid
TL;DR: 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid (CAS 62176-24-3) is a chemical compound with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-prop-2-ynoxybenzoic acid
Also Known As: 5-chloro-2-prop-2-ynoxybenzoic acid, 5-chloro-2-prop-2-ynyloxy-benzoic acid, 5-chloro-2-(prop-2-yn-1-yloxy)benzoic acid, 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid
| Molecular Formula | C10H7ClO3 |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 210.00838 |
| Heavy Atoms | 14 |
| Complexity | 255.0 |
Chemical Identifiers
| CAS Number | 62176-24-3 |
|---|---|
| SMILES | C#CCOC1=C(C=C(C=C1)Cl)C(=O)O |
| InChIKey | SVUWYXHNPPZARJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid (CAS 62176-24-3), with molecular formula C10H7ClO3 and molecular weight 210.01 g/mol. IUPAC: 5-chloro-2-prop-2-ynoxybenzoic acid.
Chemical Property Profile of 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid
Property Insights of 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid has 1 hydrogen bond donor(s) and 3 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 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid?
The CAS number of 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid is 62176-24-3.
What is the molecular formula of 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid?
The molecular formula of 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid is C10H7ClO3.
What is the molecular weight of 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid?
The molecular weight of 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid is 210.01 g/mol.
Where can I buy 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid?
You can request a quote for 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-[(prop-2-yn-1-yl)oxy]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.