3,6-Dichlorosalicylic acid
TL;DR: 3,6-Dichlorosalicylic acid (CAS 3401-80-7) is a chemical compound with molecular formula C7H4Cl2O3 and molecular weight 205.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-2-hydroxybenzoic acid
Also Known As: 3,6-Dichloro-2-hydroxybenzoic acid, 3,6-DICHLOROSALICYLIC ACID, Dicamba-desmethyl, Dicamba metabolite, DCSA
| Molecular Formula | C7H4Cl2O3 |
|---|---|
| Molecular Weight | 205.95 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.95375 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 3401-80-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C(=O)O)O)Cl |
| InChIKey | FKIKPQHMWFZFEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,6-Dichlorosalicylic acid (CAS 3401-80-7), with molecular formula C7H4Cl2O3 and molecular weight 205.95 g/mol. IUPAC: 3,6-dichloro-2-hydroxybenzoic acid.
Chemical Property Profile of 3,6-Dichlorosalicylic acid
Property Insights of 3,6-Dichlorosalicylic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,6-Dichlorosalicylic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3,6-Dichlorosalicylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-Dichlorosalicylic acid 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 3,6-Dichlorosalicylic acid?
The CAS number of 3,6-Dichlorosalicylic acid is 3401-80-7.
What is the molecular formula of 3,6-Dichlorosalicylic acid?
The molecular formula of 3,6-Dichlorosalicylic acid is C7H4Cl2O3.
What is the molecular weight of 3,6-Dichlorosalicylic acid?
The molecular weight of 3,6-Dichlorosalicylic acid is 205.95 g/mol.
Where can I buy 3,6-Dichlorosalicylic acid?
You can request a quote for 3,6-Dichlorosalicylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dichlorosalicylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dichlorosalicylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.