Ethyl 2-(chlorosulfonyl)benzoate
TL;DR: Ethyl 2-(chlorosulfonyl)benzoate (CAS 103008-54-4) is a chemical compound with molecular formula C9H9ClO4S and molecular weight 247.99101 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-chlorosulfonylbenzoate
Also Known As: ETHYL 2-(CHLOROSULFONYL)BENZOATE, Ethyl 2-chlorosulfonylbenzoate, Benzoic acid, 2-(chlorosulfonyl)-, ethyl ester (9CI), 2-carboethoxybenzenesulfonyl chloride, ETHYL2-(CHLOROSULFONYL)BENZOATE
Technical Specifications
| Molecular Formula | C9H9ClO4S |
| Molecular Weight | 247.99101 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.99101 Da |
| Heavy Atoms | 15 |
| Complexity | 319.0 |
| SMILES | CCOC(=O)C1=CC=CC=C1S(=O)(=O)Cl |
| InChIKey | YYVLJSYHJIQREA-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-(chlorosulfonyl)benzoate
Property Insights of Ethyl 2-(chlorosulfonyl)benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(chlorosulfonyl)benzoate. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(chlorosulfonyl)benzoate. Following Lipinski's Rule of Five, Ethyl 2-(chlorosulfonyl)benzoate has 0 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 Ethyl 2-(chlorosulfonyl)benzoate?
The CAS number of Ethyl 2-(chlorosulfonyl)benzoate is 103008-54-4.
What is the molecular formula of Ethyl 2-(chlorosulfonyl)benzoate?
The molecular formula of Ethyl 2-(chlorosulfonyl)benzoate is C9H9ClO4S.
What is the molecular weight of Ethyl 2-(chlorosulfonyl)benzoate?
The molecular weight of Ethyl 2-(chlorosulfonyl)benzoate is 247.99101 g/mol.
Where can I buy Ethyl 2-(chlorosulfonyl)benzoate?
You can request a quote for Ethyl 2-(chlorosulfonyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-(chlorosulfonyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-(chlorosulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.