3-Chloro-1-((4-methylphenyl)sulfonyl)acetone
TL;DR: 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone (CAS 57122-49-3) is a chemical compound with molecular formula C10H11ClO3S and molecular weight 246.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-(4-methylphenyl)sulfonylpropan-2-one
Also Known As: 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone, 1-Chloro-3-tosylpropan-2-one, 1-chloro-3-(4-methylphenyl)sulfonylpropan-2-one, 5841AE, 8388AB
| Molecular Formula | C10H11ClO3S |
|---|---|
| Molecular Weight | 246.01 g/mol |
| LogP | 1.57662 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.01175 |
| Heavy Atoms | 15 |
| Complexity | 448.06076 |
Chemical Identifiers
| CAS Number | 57122-49-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CCl |
Product Overview
3-Chloro-1-((4-methylphenyl)sulfonyl)acetone (CAS 57122-49-3), with molecular formula C10H11ClO3S and molecular weight 246.01 g/mol. IUPAC: 1-chloro-3-(4-methylphenyl)sulfonylpropan-2-one.
Chemical Property Profile of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone
Property Insights of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone
The XLogP value of 1.57662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone. With a topological polar surface area (TPSA) of 51.21 Ų, 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone 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 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone?
The CAS number of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone is 57122-49-3.
What is the molecular formula of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone?
The molecular formula of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone is C10H11ClO3S.
What is the molecular weight of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone?
The molecular weight of 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone is 246.01 g/mol.
Where can I buy 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone?
You can request a quote for 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-((4-methylphenyl)sulfonyl)acetone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.