3-氨基苯-1-磺酰氟
TL;DR: 3-氨基苯-1-磺酰氟 (CAS 368-50-3) is a chemical compound with molecular formula C6H6FNO2S and molecular weight 175.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氨基苯-1-磺酰氟
3-aminobenzenesulfonyl fluoride
Also Known As: Metanilyl fluoride, 3-Aminobenzenesulfonyl fluoride, 3-aminobenzene-1-sulfonyl fluoride, Benzenesulfonyl fluoride, 3-amino-, m-Aminobenzenesulfonyl fluoride
| Molecular Formula | C6H6FNO2S |
|---|---|
| Molecular Weight | 175.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 175.01033 |
| Heavy Atoms | 11 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 368-50-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)F)N |
| InChIKey | PLSYVJDMJWGODG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氨基苯-1-磺酰氟 (CAS 368-50-3), with molecular formula C6H6FNO2S and molecular weight 175.01 g/mol. IUPAC: 3-aminobenzenesulfonyl fluoride.
Chemical Property Profile of 3-氨基苯-1-磺酰氟
Property Insights of 3-氨基苯-1-磺酰氟
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氨基苯-1-磺酰氟. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-氨基苯-1-磺酰氟. Following Lipinski's Rule of Five, 3-氨基苯-1-磺酰氟 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-氨基苯-1-磺酰氟?
The CAS number of 3-氨基苯-1-磺酰氟 is 368-50-3.
What is the molecular formula of 3-氨基苯-1-磺酰氟?
The molecular formula of 3-氨基苯-1-磺酰氟 is C6H6FNO2S.
What is the molecular weight of 3-氨基苯-1-磺酰氟?
The molecular weight of 3-氨基苯-1-磺酰氟 is 175.01 g/mol.
Where can I buy 3-氨基苯-1-磺酰氟?
You can request a quote for 3-氨基苯-1-磺酰氟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氨基苯-1-磺酰氟?
Yes, KEHONG BIO provides custom synthesis services for 3-氨基苯-1-磺酰氟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.