Methyl 4-chlorobenzenesulfinate
TL;DR: Methyl 4-chlorobenzenesulfinate (CAS 26760-21-4) is a chemical compound with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-chlorobenzenesulfinate
Also Known As: methyl 4-chlorobenzenesulfinate, METHYL 4-CHLOROBENZENE SULFINATE, starbld0016643, Methyl 4-chlorobenzene sulphinate, 1-chloro-4-methoxysulfinyl-benzene
| Molecular Formula | C7H7ClO2S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 2.009 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.98553 |
| Heavy Atoms | 11 |
| Complexity | 257.648 |
Chemical Identifiers
| CAS Number | 26760-21-4 |
|---|---|
| SMILES | COS(=O)C1=CC=C(C=C1)Cl |
Product Overview
Methyl 4-chlorobenzenesulfinate (CAS 26760-21-4), with molecular formula C7H7ClO2S and molecular weight 189.99 g/mol. IUPAC: methyl 4-chlorobenzenesulfinate.
Chemical Property Profile of Methyl 4-chlorobenzenesulfinate
Property Insights of Methyl 4-chlorobenzenesulfinate
The XLogP value of 2.009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-chlorobenzenesulfinate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4-chlorobenzenesulfinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-chlorobenzenesulfinate 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 Methyl 4-chlorobenzenesulfinate?
The CAS number of Methyl 4-chlorobenzenesulfinate is 26760-21-4.
What is the molecular formula of Methyl 4-chlorobenzenesulfinate?
The molecular formula of Methyl 4-chlorobenzenesulfinate is C7H7ClO2S.
What is the molecular weight of Methyl 4-chlorobenzenesulfinate?
The molecular weight of Methyl 4-chlorobenzenesulfinate is 189.99 g/mol.
Where can I buy Methyl 4-chlorobenzenesulfinate?
You can request a quote for Methyl 4-chlorobenzenesulfinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-chlorobenzenesulfinate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-chlorobenzenesulfinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.