Salicylic acid, dichloroacetate
TL;DR: Salicylic acid, dichloroacetate (CAS 3545-41-3) is a chemical compound with molecular formula C9H6Cl2O4 and molecular weight 247.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dichloroacetyl)oxybenzoic acid
Also Known As: Salicylic acid, dichloroacetate, 2-[ oxy]benzoicacid, O-Dichloroacetylsalicylic acid, 2-(2,2-dichloroacetoxy)benzoic acid, Salicylic acid,dichloroacetate
| Molecular Formula | C9H6Cl2O4 |
|---|---|
| Molecular Weight | 247.96 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.96431 |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 3545-41-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)OC(=O)C(Cl)Cl |
| InChIKey | MQTWHLCJRJABMW-UHFFFAOYSA-N |
Product Overview
Salicylic acid, dichloroacetate (CAS 3545-41-3), with molecular formula C9H6Cl2O4 and molecular weight 247.96 g/mol. IUPAC: 2-(2,2-dichloroacetyl)oxybenzoic acid.
Chemical Property Profile of Salicylic acid, dichloroacetate
Property Insights of Salicylic acid, dichloroacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Salicylic acid, dichloroacetate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Salicylic acid, dichloroacetate. Following Lipinski's Rule of Five, Salicylic acid, dichloroacetate has 1 hydrogen bond donor(s) and 4 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 Salicylic acid, dichloroacetate?
The CAS number of Salicylic acid, dichloroacetate is 3545-41-3.
What is the molecular formula of Salicylic acid, dichloroacetate?
The molecular formula of Salicylic acid, dichloroacetate is C9H6Cl2O4.
What is the molecular weight of Salicylic acid, dichloroacetate?
The molecular weight of Salicylic acid, dichloroacetate is 247.96 g/mol.
Where can I buy Salicylic acid, dichloroacetate?
You can request a quote for Salicylic acid, dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Salicylic acid, dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Salicylic acid, dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.