3-(2,4-Dichlorophenyl)prop-2-ynoic acid
TL;DR: 3-(2,4-Dichlorophenyl)prop-2-ynoic acid (CAS 6974-65-8) is a chemical compound with molecular formula C9H4Cl2O2 and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dichlorophenyl)prop-2-ynoic acid
Also Known As: 3-(2,4-dichlorophenyl)prop-2-ynoic acid, starbld0016465, 2-Propynoic acid,3-(2,4-dichlorophenyl)-, 3-(2,4-Dichlorophenyl)propiolic acid, (2,4-dichlorophenyl)propynoic Acid
| Molecular Formula | C9H4Cl2O2 |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.95883 |
| Heavy Atoms | 13 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 6974-65-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)C#CC(=O)O |
| InChIKey | OSHXQMWUABGGBV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2,4-Dichlorophenyl)prop-2-ynoic acid (CAS 6974-65-8), with molecular formula C9H4Cl2O2 and molecular weight 213.96 g/mol. IUPAC: 3-(2,4-dichlorophenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(2,4-Dichlorophenyl)prop-2-ynoic acid
Property Insights of 3-(2,4-Dichlorophenyl)prop-2-ynoic acid
The XLogP value of 3.3 indicates that 3-(2,4-Dichlorophenyl)prop-2-ynoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2,4-Dichlorophenyl)prop-2-ynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,4-Dichlorophenyl)prop-2-ynoic 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-(2,4-Dichlorophenyl)prop-2-ynoic acid?
The CAS number of 3-(2,4-Dichlorophenyl)prop-2-ynoic acid is 6974-65-8.
What is the molecular formula of 3-(2,4-Dichlorophenyl)prop-2-ynoic acid?
The molecular formula of 3-(2,4-Dichlorophenyl)prop-2-ynoic acid is C9H4Cl2O2.
What is the molecular weight of 3-(2,4-Dichlorophenyl)prop-2-ynoic acid?
The molecular weight of 3-(2,4-Dichlorophenyl)prop-2-ynoic acid is 213.96 g/mol.
Where can I buy 3-(2,4-Dichlorophenyl)prop-2-ynoic acid?
You can request a quote for 3-(2,4-Dichlorophenyl)prop-2-ynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dichlorophenyl)prop-2-ynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dichlorophenyl)prop-2-ynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.