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 267.93637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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, 7J-359S
Technical Specifications
| Molecular Formula | C8H6Cl2O4S |
| Molecular Weight | 267.93637 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.93637 Da |
| Heavy Atoms | 15 |
| Complexity | 348.0 |
| SMILES | CS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)Cl |
| InChIKey | OGKHGNNGBKDXOK-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dichloro-4-methylsulfonylbenzoic acid
Property Insights of 2,3-Dichloro-4-methylsulfonylbenzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-4-methylsulfonylbenzoic acid. The TPSA of 79.8 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 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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 267.93637 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 CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dichloro-4-methylsulfonylbenzoic acid?
Yes, CoreyChem 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.