alpha-Chloro-alpha,2-toluenesultone
TL;DR: alpha-Chloro-alpha,2-toluenesultone (CAS 25595-59-9) is a chemical compound with molecular formula C7H5ClO3S and molecular weight 203.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-3H-2,1λ6-benzoxathiole 1,1-dioxide
Also Known As: 3-chloro-3H-2,1, 3-CHLORO-3H-2,1-BENZOXATHIOLE-1,1-DIOXIDE, alpha-Chloro-alpha,2-toluenesultone, 3-chloro-3h-2,1-benzoxathiole1,1-dioxide, LABOTEST-BB LT00440867
| Molecular Formula | C7H5ClO3S |
|---|---|
| Molecular Weight | 203.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.9648 |
| Heavy Atoms | 12 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 25595-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(OS2(=O)=O)Cl |
| InChIKey | LNWUNIOANJTGPG-UHFFFAOYSA-N |
Product Overview
alpha-Chloro-alpha,2-toluenesultone (CAS 25595-59-9), with molecular formula C7H5ClO3S and molecular weight 203.96 g/mol. IUPAC: 3-chloro-3H-2,1λ6-benzoxathiole 1,1-dioxide.
Chemical Property Profile of alpha-Chloro-alpha,2-toluenesultone
Property Insights of alpha-Chloro-alpha,2-toluenesultone
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Chloro-alpha,2-toluenesultone. With a topological polar surface area (TPSA) of 51.8 Ų, alpha-Chloro-alpha,2-toluenesultone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Chloro-alpha,2-toluenesultone 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 alpha-Chloro-alpha,2-toluenesultone?
The CAS number of alpha-Chloro-alpha,2-toluenesultone is 25595-59-9.
What is the molecular formula of alpha-Chloro-alpha,2-toluenesultone?
The molecular formula of alpha-Chloro-alpha,2-toluenesultone is C7H5ClO3S.
What is the molecular weight of alpha-Chloro-alpha,2-toluenesultone?
The molecular weight of alpha-Chloro-alpha,2-toluenesultone is 203.96 g/mol.
Where can I buy alpha-Chloro-alpha,2-toluenesultone?
You can request a quote for alpha-Chloro-alpha,2-toluenesultone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Chloro-alpha,2-toluenesultone?
Yes, KEHONG BIO provides custom synthesis services for alpha-Chloro-alpha,2-toluenesultone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.