2,3,6-三氯苯甲酸
TL;DR: 2,3,6-三氯苯甲酸 (CAS 50-31-7) is a chemical compound with molecular formula C7H3Cl3O2 and molecular weight 223.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-三氯苯甲酸
2,3,6-trichlorobenzoic acid
Also Known As: 2,3,6-TRICHLOROBENZOIC ACID, Trysben, Benzabar, Tribac, Fen-all
| Molecular Formula | C7H3Cl3O2 |
|---|---|
| Molecular Weight | 223.92 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.91986 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
| Melting Point | 124.5 °C |
| Solubility | Soluble in ethyl ether |
| Vapor Pressure | 0.00055 [mmHg] |
Chemical Identifiers
| CAS Number | 50-31-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C(=O)O)Cl)Cl |
| InChIKey | XZIDTOHMJBOSOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,6-三氯苯甲酸 (CAS 50-31-7), with molecular formula C7H3Cl3O2 and molecular weight 223.92 g/mol. IUPAC: 2,3,6-trichlorobenzoic acid.
Chemical Property Profile of 2,3,6-三氯苯甲酸
Property Insights of 2,3,6-三氯苯甲酸
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,6-三氯苯甲酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2,3,6-三氯苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,6-三氯苯甲酸 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 2,3,6-三氯苯甲酸?
The CAS number of 2,3,6-三氯苯甲酸 is 50-31-7.
What is the molecular formula of 2,3,6-三氯苯甲酸?
The molecular formula of 2,3,6-三氯苯甲酸 is C7H3Cl3O2.
What is the molecular weight of 2,3,6-三氯苯甲酸?
The molecular weight of 2,3,6-三氯苯甲酸 is 223.92 g/mol.
Where can I buy 2,3,6-三氯苯甲酸?
You can request a quote for 2,3,6-三氯苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-三氯苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-三氯苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.