3,4,6-三氯-2-羟基苯甲酸
TL;DR: 3,4,6-三氯-2-羟基苯甲酸 (CAS 68427-31-6) is a chemical compound with molecular formula C7H3Cl3O3 and molecular weight 239.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,6-三氯-2-羟基苯甲酸
3,4,6-trichloro-2-hydroxybenzoic acid
Also Known As: 3,4,6-trichloro-2-hydroxybenzoic acid, 3,4,6-Trichlorosalicylic acid, Benzoic acid, 3,4,6-trichloro-2-hydroxy-, 3,4,6-Trichlorosalicyclic acid, 3,4,6-trichloro-2-hydroxybenzoicacid
| Molecular Formula | C7H3Cl3O3 |
|---|---|
| Molecular Weight | 239.91 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.91478 |
| Heavy Atoms | 13 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 68427-31-6 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1Cl)Cl)O)C(=O)O)Cl |
| InChIKey | HXFHVXQDAWYFMP-UHFFFAOYSA-N |
Product Overview
3,4,6-三氯-2-羟基苯甲酸 (CAS 68427-31-6), with molecular formula C7H3Cl3O3 and molecular weight 239.91 g/mol. IUPAC: 3,4,6-trichloro-2-hydroxybenzoic acid.
Chemical Property Profile of 3,4,6-三氯-2-羟基苯甲酸
Property Insights of 3,4,6-三氯-2-羟基苯甲酸
The XLogP value of 3.3 indicates that 3,4,6-三氯-2-羟基苯甲酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 3,4,6-三氯-2-羟基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,6-三氯-2-羟基苯甲酸 has 2 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 3,4,6-三氯-2-羟基苯甲酸?
The CAS number of 3,4,6-三氯-2-羟基苯甲酸 is 68427-31-6.
What is the molecular formula of 3,4,6-三氯-2-羟基苯甲酸?
The molecular formula of 3,4,6-三氯-2-羟基苯甲酸 is C7H3Cl3O3.
What is the molecular weight of 3,4,6-三氯-2-羟基苯甲酸?
The molecular weight of 3,4,6-三氯-2-羟基苯甲酸 is 239.91 g/mol.
Where can I buy 3,4,6-三氯-2-羟基苯甲酸?
You can request a quote for 3,4,6-三氯-2-羟基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,6-三氯-2-羟基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4,6-三氯-2-羟基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.