Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-
TL;DR: Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- (CAS 445-07-8) is a chemical compound with molecular formula C7H7FO3S and molecular weight 190.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-5-methylbenzenesulfonyl fluoride
Also Known As: 2-hydroxy-5-methylbenzenesulfonyl fluoride, Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-, 2-HYDROXY-5-METHYLBENZENE-1-SULFONYL FLUORIDE, 4-Oxy-toluol-sulfonsaeure-(3)-fluorid, 2-HYDROXY-5-METHYLBENZENE-1-SULFONYLFLUORIDE
| Molecular Formula | C7H7FO3S |
|---|---|
| Molecular Weight | 190.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.01 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 445-07-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)S(=O)(=O)F |
| InChIKey | QLBFPHCSJHIZKF-UHFFFAOYSA-N |
Product Overview
Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- (CAS 445-07-8), with molecular formula C7H7FO3S and molecular weight 190.01 g/mol. IUPAC: 2-hydroxy-5-methylbenzenesulfonyl fluoride.
Chemical Property Profile of Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-
Property Insights of Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-. Following Lipinski's Rule of Five, Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- 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 Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-?
The CAS number of Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- is 445-07-8.
What is the molecular formula of Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-?
The molecular formula of Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- is C7H7FO3S.
What is the molecular weight of Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-?
The molecular weight of Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- is 190.01 g/mol.
Where can I buy Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-?
You can request a quote for Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonyl fluoride, 2-hydroxy-5-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonyl fluoride, 2-hydroxy-5-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.