5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride
TL;DR: 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride (CAS 26512-02-7) is a chemical compound with molecular formula C7H6ClFO3S and molecular weight 223.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2-hydroxy-4-methylbenzenesulfonyl fluoride
Also Known As: 5-Chloro-2-hydroxy-4-methylbenzenesulfonyl fluoride, p-Toluenesulfonyl fluoride, 5-chloro-2-hydroxy-, 2-Hydroxy-4-methyl-5-chlorobenzenesulfonyl fluoride, 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride, 3,5-dichloro-6-hydroxy benzenesulphonyl chloride
| Molecular Formula | C7H6ClFO3S |
|---|---|
| Molecular Weight | 223.97 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.97102 |
| Heavy Atoms | 13 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 26512-02-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)S(=O)(=O)F)O |
| InChIKey | JWFAESUCJZGWMS-UHFFFAOYSA-N |
Product Overview
5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride (CAS 26512-02-7), with molecular formula C7H6ClFO3S and molecular weight 223.97 g/mol. IUPAC: 5-chloro-2-hydroxy-4-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride
Property Insights of 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride has 1 hydrogen bond donor(s) and 4 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 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride?
The CAS number of 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride is 26512-02-7.
What is the molecular formula of 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride?
The molecular formula of 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride is C7H6ClFO3S.
What is the molecular weight of 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride?
The molecular weight of 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride is 223.97 g/mol.
Where can I buy 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride?
You can request a quote for 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-hydroxy-4-methylbenzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.