Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-
TL;DR: Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- (CAS 68039-14-5) is a chemical compound with molecular formula C10H12ClNO4S and molecular weight 277.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetamido-5-methoxy-2-methylbenzenesulfonyl chloride
Also Known As: Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-, 4-Acetamido-5-methoxy-2-methylbenzenesulphonyl chloride, 4-acetamido-5-methoxy-2-methylbenzenesulfonyl chloride, 4-Acetylamino-5-methoxy-2-methylbenzenesulfonyl chloride, 4-(Acetylamino)-5-methoxy-2-methylbenzenesulfonyl chloride
| Molecular Formula | C10H12ClNO4S |
|---|---|
| Molecular Weight | 277.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.01755 |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 68039-14-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)Cl)OC)NC(=O)C |
| InChIKey | XWRBAVORXAXIRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- (CAS 68039-14-5), with molecular formula C10H12ClNO4S and molecular weight 277.02 g/mol. IUPAC: 4-acetamido-5-methoxy-2-methylbenzenesulfonyl chloride.
Chemical Property Profile of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-
Property Insights of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-. Following Lipinski's Rule of Five, Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- 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
Frequently Asked Questions
What is the CAS number of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-?
The CAS number of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- is 68039-14-5.
What is the molecular formula of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-?
The molecular formula of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- is C10H12ClNO4S.
What is the molecular weight of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-?
The molecular weight of Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- is 277.02 g/mol.
Where can I buy Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-?
You can request a quote for Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl chloride, 4-(acetylamino)-5-methoxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.