5-Amino-2-methylbenzene-1-sulfonyl fluoride
TL;DR: 5-Amino-2-methylbenzene-1-sulfonyl fluoride (CAS 4551-16-0) is a chemical compound with molecular formula C7H8FNO2S and molecular weight 189.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-2-methylbenzenesulfonyl fluoride
Also Known As: 5-Amino-2-methylbenzene-1-sulfonyl fluoride, 5-amino-2-methylbenzenesulfonyl fluoride, 4-amino-toluene-2-sulfonyl fluoride, 5-azanyl-2-methyl-benzenesulfonyl fluoride, 5-Amino-2-methylbenzene-1-sulfonylfluoride
| Molecular Formula | C7H8FNO2S |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.02597 |
| Heavy Atoms | 12 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 4551-16-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N)S(=O)(=O)F |
| InChIKey | HHNBKGKQPAGUFL-UHFFFAOYSA-N |
Product Overview
5-Amino-2-methylbenzene-1-sulfonyl fluoride (CAS 4551-16-0), with molecular formula C7H8FNO2S and molecular weight 189.03 g/mol. IUPAC: 5-amino-2-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 5-Amino-2-methylbenzene-1-sulfonyl fluoride
Property Insights of 5-Amino-2-methylbenzene-1-sulfonyl fluoride
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Amino-2-methylbenzene-1-sulfonyl fluoride. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-methylbenzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 5-Amino-2-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-Amino-2-methylbenzene-1-sulfonyl fluoride?
The CAS number of 5-Amino-2-methylbenzene-1-sulfonyl fluoride is 4551-16-0.
What is the molecular formula of 5-Amino-2-methylbenzene-1-sulfonyl fluoride?
The molecular formula of 5-Amino-2-methylbenzene-1-sulfonyl fluoride is C7H8FNO2S.
What is the molecular weight of 5-Amino-2-methylbenzene-1-sulfonyl fluoride?
The molecular weight of 5-Amino-2-methylbenzene-1-sulfonyl fluoride is 189.03 g/mol.
Where can I buy 5-Amino-2-methylbenzene-1-sulfonyl fluoride?
You can request a quote for 5-Amino-2-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-Amino-2-methylbenzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 5-Amino-2-methylbenzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.