3-Amino-4-methylbenzene-1-sulfonyl fluoride
TL;DR: 3-Amino-4-methylbenzene-1-sulfonyl fluoride (CAS 328-86-9) 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.
3-amino-4-methylbenzenesulfonyl fluoride
Also Known As: 3-amino-4-methylbenzene-1-sulfonyl fluoride, starbld0017960, 3-amino-4-methylbenzenesulfonyl fluoride, Benzenesulfonyl fluoride, 3-amino-4-methyl-, 664-885-0
| Molecular Formula | C7H8FNO2S |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | 0.6 |
| 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 | 328-86-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)F)N |
| InChIKey | GMDFYZFNDARUTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-4-methylbenzene-1-sulfonyl fluoride (CAS 328-86-9), with molecular formula C7H8FNO2S and molecular weight 189.03 g/mol. IUPAC: 3-amino-4-methylbenzenesulfonyl fluoride.
Chemical Property Profile of 3-Amino-4-methylbenzene-1-sulfonyl fluoride
Property Insights of 3-Amino-4-methylbenzene-1-sulfonyl fluoride
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-methylbenzene-1-sulfonyl fluoride. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-methylbenzene-1-sulfonyl fluoride. Following Lipinski's Rule of Five, 3-Amino-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 3-Amino-4-methylbenzene-1-sulfonyl fluoride?
The CAS number of 3-Amino-4-methylbenzene-1-sulfonyl fluoride is 328-86-9.
What is the molecular formula of 3-Amino-4-methylbenzene-1-sulfonyl fluoride?
The molecular formula of 3-Amino-4-methylbenzene-1-sulfonyl fluoride is C7H8FNO2S.
What is the molecular weight of 3-Amino-4-methylbenzene-1-sulfonyl fluoride?
The molecular weight of 3-Amino-4-methylbenzene-1-sulfonyl fluoride is 189.03 g/mol.
Where can I buy 3-Amino-4-methylbenzene-1-sulfonyl fluoride?
You can request a quote for 3-Amino-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 3-Amino-4-methylbenzene-1-sulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-methylbenzene-1-sulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.