2,3-Dichloro-4-(ethylsulfonyl)benzoic acid
TL;DR: 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid (CAS 105917-76-8) is a chemical compound with molecular formula C9H8Cl2O4S and molecular weight 281.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dichloro-4-ethylsulfonylbenzoic acid
Also Known As: 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid, 2,3-Dichloro-4-(ethylsulfonyl)-benzenecarboxylic acid, 2,3-dichloro-4-ethylsulfonylbenzoic acid, 2,3-dichloro-4-(ethanesulfonyl)benzoic acid, 7J-359S
| Molecular Formula | C9H8Cl2O4S |
|---|---|
| Molecular Weight | 281.95 g/mol |
| LogP | 2.4852 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.95203 |
| Heavy Atoms | 16 |
| Complexity | 536.6851 |
Chemical Identifiers
| CAS Number | 105917-76-8 |
|---|---|
| SMILES | CCS(=O)(=O)C1=C(C(=C(C=C1)C(=O)O)Cl)Cl |
Product Overview
2,3-Dichloro-4-(ethylsulfonyl)benzoic acid (CAS 105917-76-8), with molecular formula C9H8Cl2O4S and molecular weight 281.95 g/mol. IUPAC: 2,3-dichloro-4-ethylsulfonylbenzoic acid.
Chemical Property Profile of 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid
Property Insights of 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid
The XLogP value of 2.4852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 2,3-Dichloro-4-(ethylsulfonyl)benzoic 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-(ethylsulfonyl)benzoic acid?
The CAS number of 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid is 105917-76-8.
What is the molecular formula of 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid?
The molecular formula of 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid is C9H8Cl2O4S.
What is the molecular weight of 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid?
The molecular weight of 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid is 281.95 g/mol.
Where can I buy 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid?
You can request a quote for 2,3-Dichloro-4-(ethylsulfonyl)benzoic 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-(ethylsulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dichloro-4-(ethylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.