5-Acetyl-2-methoxybenzenesulfonyl chloride
TL;DR: 5-Acetyl-2-methoxybenzenesulfonyl chloride (CAS 85276-41-1) is a chemical compound with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-acetyl-2-methoxybenzenesulfonyl chloride
Also Known As: 5-acetyl-2-methoxybenzenesulfonyl chloride, 5-acetyl-2-methoxybenzene-1-sulfonyl chloride, BENZENESULFONYL CHLORIDE, 5-ACETYL-2-METHOXY-, 5-acetyl-2-methoxy-benzenesulfonyl Chloride, BENZENESULFONYL CHLORIDE,5-ACETYL-2-METHOXY
| Molecular Formula | C9H9ClO4S |
|---|---|
| Molecular Weight | 247.99 g/mol |
| LogP | 1.8253 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.99101 |
| Heavy Atoms | 15 |
| Complexity | 492.83386 |
Chemical Identifiers
| CAS Number | 85276-41-1 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)OC)S(=O)(=O)Cl |
Product Overview
5-Acetyl-2-methoxybenzenesulfonyl chloride (CAS 85276-41-1), with molecular formula C9H9ClO4S and molecular weight 247.99 g/mol. IUPAC: 5-acetyl-2-methoxybenzenesulfonyl chloride.
Chemical Property Profile of 5-Acetyl-2-methoxybenzenesulfonyl chloride
Property Insights of 5-Acetyl-2-methoxybenzenesulfonyl chloride
The XLogP value of 1.8253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Acetyl-2-methoxybenzenesulfonyl chloride. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Acetyl-2-methoxybenzenesulfonyl chloride. Following Lipinski's Rule of Five, 5-Acetyl-2-methoxybenzenesulfonyl chloride 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
Frequently Asked Questions
What is the CAS number of 5-Acetyl-2-methoxybenzenesulfonyl chloride?
The CAS number of 5-Acetyl-2-methoxybenzenesulfonyl chloride is 85276-41-1.
What is the molecular formula of 5-Acetyl-2-methoxybenzenesulfonyl chloride?
The molecular formula of 5-Acetyl-2-methoxybenzenesulfonyl chloride is C9H9ClO4S.
What is the molecular weight of 5-Acetyl-2-methoxybenzenesulfonyl chloride?
The molecular weight of 5-Acetyl-2-methoxybenzenesulfonyl chloride is 247.99 g/mol.
Where can I buy 5-Acetyl-2-methoxybenzenesulfonyl chloride?
You can request a quote for 5-Acetyl-2-methoxybenzenesulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Acetyl-2-methoxybenzenesulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 5-Acetyl-2-methoxybenzenesulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.