2,3-Dichloro-4-methylsulfonylbenzoic acid
TL;DR: 2,3-Dichloro-4-methylsulfonylbenzoic acid (CAS 105917-77-9) is a chemical compound with molecular formula C8H6Cl2O4S and molecular weight 267.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-4-methylsulfonylbenzoic acid
Also Known As: Vismodegib Impurity 3, 2,3-dichloro-4-methylsulfonylbenzoic acid, Benzoic acid, 2,3-dichloro-4-(methylsulfonyl)-, 2,3-Dichloro-4-(methylsulfonyl)benzoic acid, 2,3-dichloro-4-methylsulfonyl-benzoic Acid
| Molecular Formula | C8H6Cl2O4S |
|---|---|
| Molecular Weight | 267.94 g/mol |
| LogP | 2.0951 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.93637 |
| Heavy Atoms | 15 |
| Complexity | 521.68835 |
Chemical Identifiers
| CAS Number | 105917-77-9 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)Cl |
Product Overview
2,3-Dichloro-4-methylsulfonylbenzoic acid (CAS 105917-77-9), with molecular formula C8H6Cl2O4S and molecular weight 267.94 g/mol. IUPAC: 2,3-dichloro-4-methylsulfonylbenzoic acid.
Chemical Property Profile of 2,3-Dichloro-4-methylsulfonylbenzoic acid
Property Insights of 2,3-Dichloro-4-methylsulfonylbenzoic acid
The XLogP value of 2.0951 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-4-methylsulfonylbenzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dichloro-4-methylsulfonylbenzoic acid. Following Lipinski's Rule of Five, 2,3-Dichloro-4-methylsulfonylbenzoic 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-Dichloro-4-methylsulfonylbenzoic acid?
The CAS number of 2,3-Dichloro-4-methylsulfonylbenzoic acid is 105917-77-9.
What is the molecular formula of 2,3-Dichloro-4-methylsulfonylbenzoic acid?
The molecular formula of 2,3-Dichloro-4-methylsulfonylbenzoic acid is C8H6Cl2O4S.
What is the molecular weight of 2,3-Dichloro-4-methylsulfonylbenzoic acid?
The molecular weight of 2,3-Dichloro-4-methylsulfonylbenzoic acid is 267.94 g/mol.
Where can I buy 2,3-Dichloro-4-methylsulfonylbenzoic acid?
You can request a quote for 2,3-Dichloro-4-methylsulfonylbenzoic 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-Dichloro-4-methylsulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-4-methylsulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.