3,4-Diaminobenzenesulfonyl fluoride
TL;DR: 3,4-Diaminobenzenesulfonyl fluoride (CAS 500587-13-3) is a chemical compound with molecular formula C6H7FN2O2S and molecular weight 190.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-diaminobenzenesulfonyl fluoride
Also Known As: 3,4-diaminobenzenesulfonyl fluoride, 3,4-diaminobenzene-1-sulfonyl fluoride, 3,4-diaminobenzene-1-sulfonylfluoride
| Molecular Formula | C6H7FN2O2S |
|---|---|
| Molecular Weight | 190.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.02122 |
| Heavy Atoms | 12 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 500587-13-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)F)N)N |
| InChIKey | YMKFPXBXGNMKBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Diaminobenzenesulfonyl fluoride (CAS 500587-13-3), with molecular formula C6H7FN2O2S and molecular weight 190.02 g/mol. IUPAC: 3,4-diaminobenzenesulfonyl fluoride.
Chemical Property Profile of 3,4-Diaminobenzenesulfonyl fluoride
Property Insights of 3,4-Diaminobenzenesulfonyl fluoride
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diaminobenzenesulfonyl fluoride. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diaminobenzenesulfonyl fluoride. Following Lipinski's Rule of Five, 3,4-Diaminobenzenesulfonyl fluoride has 2 hydrogen bond donor(s) and 5 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 3,4-Diaminobenzenesulfonyl fluoride?
The CAS number of 3,4-Diaminobenzenesulfonyl fluoride is 500587-13-3.
What is the molecular formula of 3,4-Diaminobenzenesulfonyl fluoride?
The molecular formula of 3,4-Diaminobenzenesulfonyl fluoride is C6H7FN2O2S.
What is the molecular weight of 3,4-Diaminobenzenesulfonyl fluoride?
The molecular weight of 3,4-Diaminobenzenesulfonyl fluoride is 190.02 g/mol.
Where can I buy 3,4-Diaminobenzenesulfonyl fluoride?
You can request a quote for 3,4-Diaminobenzenesulfonyl fluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Diaminobenzenesulfonyl fluoride?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diaminobenzenesulfonyl fluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.