2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-
TL;DR: 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- (CAS 207974-06-9) is a chemical compound with molecular formula C12H15ClO3S and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-3,3-dimethylbutan-2-one
Also Known As: 1-((4-Chlorophenyl)sulfonyl)-3,3-dimethylbutan-2-one, 2,4,5-Trichlorophenylsulfonicacid, 1-(4-chlorophenyl)sulfonyl-3,3-dimethylbutan-2-one, 1-(4-Chlorobenzenesulfonyl)-3,3-dimethylbutan-2-one, 2-Butanone, 1-[(4-chlorophenyl)sulfonyl]-3,3-dimethyl-
| Molecular Formula | C12H15ClO3S |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.04303 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 207974-06-9 |
|---|---|
| SMILES | CC(C)(C)C(=O)CS(=O)(=O)C1=CC=C(C=C1)Cl |
| InChIKey | XTIUXIMZIKBBSU-UHFFFAOYSA-N |
Product Overview
2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- (CAS 207974-06-9), with molecular formula C12H15ClO3S and molecular weight 274.04 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-3,3-dimethylbutan-2-one.
Chemical Property Profile of 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-
Property Insights of 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-. With a topological polar surface area (TPSA) of 59.6 Ų, 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- has 0 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-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-?
The CAS number of 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- is 207974-06-9.
What is the molecular formula of 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-?
The molecular formula of 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- is C12H15ClO3S.
What is the molecular weight of 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-?
The molecular weight of 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- is 274.04 g/mol.
Where can I buy 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-?
You can request a quote for 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 1-((4-chlorophenyl)sulfonyl)-3,3-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.