2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid
TL;DR: 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid (CAS 314767-47-0) is a chemical compound with molecular formula C11H4Cl4O4 and molecular weight 339.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5-tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid
Also Known As: 2,3,4,5-tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid, 2,3,4,5-tetrachloro-6-[(2-propyn-1-yloxy)carbonyl]benzoic acid, 2,3,4,5-tetrachloro-6-[(prop-2-yn-1-yloxy)carbonyl]benzoic acid, 2,3,4,5-tetrachloro-6-prop-2-ynoxycarbonyl-benzoic Acid, 2,3,4,5-Tetrachloro-6-[(2-propynyloxy)carbonyl]benzoic acid
| Molecular Formula | C11H4Cl4O4 |
|---|---|
| Molecular Weight | 339.89 g/mol |
| LogP | 3.7884 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 339.88638 |
| Heavy Atoms | 19 |
| Complexity | 603.93835 |
Chemical Identifiers
| CAS Number | 314767-47-0 |
|---|---|
| SMILES | C#CCOC(=O)C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)O |
Product Overview
2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid (CAS 314767-47-0), with molecular formula C11H4Cl4O4 and molecular weight 339.89 g/mol. IUPAC: 2,3,4,5-tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid.
Chemical Property Profile of 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid
Property Insights of 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid
The XLogP value of 3.7884 indicates that 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid. Following Lipinski's Rule of Five, 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic 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 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid?
The CAS number of 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid is 314767-47-0.
What is the molecular formula of 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid?
The molecular formula of 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid is C11H4Cl4O4.
What is the molecular weight of 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid?
The molecular weight of 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid is 339.89 g/mol.
Where can I buy 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid?
You can request a quote for 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,5-Tetrachloro-6-prop-2-ynoxycarbonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.