4-(Propan-2-yl)benzene-1-sulfonyl chloride
TL;DR: 4-(Propan-2-yl)benzene-1-sulfonyl chloride (CAS 54997-90-9) is a chemical compound with molecular formula C9H11ClO2S and molecular weight 218.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylbenzenesulfonyl chloride
Also Known As: 4-Isopropylbenzenesulfonyl chloride, 4-propan-2-ylbenzenesulfonyl Chloride, 4-IsopropylbenzenesulfonylChloride, 4-isopropylbenzene-1-sulfonyl chloride, 4-(Chlorosulphonyl)cumene
| Molecular Formula | C9H11ClO2S |
|---|---|
| Molecular Weight | 218.02 g/mol |
| LogP | 2.7375 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.01683 |
| Heavy Atoms | 13 |
| Complexity | 378.58066 |
Chemical Identifiers
| CAS Number | 54997-90-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)S(=O)(=O)Cl |
Product Overview
4-(Propan-2-yl)benzene-1-sulfonyl chloride (CAS 54997-90-9), with molecular formula C9H11ClO2S and molecular weight 218.02 g/mol. IUPAC: 4-propan-2-ylbenzenesulfonyl chloride.
Chemical Property Profile of 4-(Propan-2-yl)benzene-1-sulfonyl chloride
Property Insights of 4-(Propan-2-yl)benzene-1-sulfonyl chloride
The XLogP value of 2.7375 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Propan-2-yl)benzene-1-sulfonyl chloride. With a topological polar surface area (TPSA) of 34.14 Ų, 4-(Propan-2-yl)benzene-1-sulfonyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Propan-2-yl)benzene-1-sulfonyl chloride has 0 hydrogen bond donor(s) and 2 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 4-(Propan-2-yl)benzene-1-sulfonyl chloride?
The CAS number of 4-(Propan-2-yl)benzene-1-sulfonyl chloride is 54997-90-9.
What is the molecular formula of 4-(Propan-2-yl)benzene-1-sulfonyl chloride?
The molecular formula of 4-(Propan-2-yl)benzene-1-sulfonyl chloride is C9H11ClO2S.
What is the molecular weight of 4-(Propan-2-yl)benzene-1-sulfonyl chloride?
The molecular weight of 4-(Propan-2-yl)benzene-1-sulfonyl chloride is 218.02 g/mol.
Where can I buy 4-(Propan-2-yl)benzene-1-sulfonyl chloride?
You can request a quote for 4-(Propan-2-yl)benzene-1-sulfonyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Propan-2-yl)benzene-1-sulfonyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Propan-2-yl)benzene-1-sulfonyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.