4-氟-3-硝基苯磺酸
TL;DR: 4-氟-3-硝基苯磺酸 (CAS 3888-84-4) is a chemical compound with molecular formula C6H4FNO5S and molecular weight 220.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氟-3-硝基苯磺酸
4-fluoro-3-nitrobenzenesulfonic acid
Also Known As: 4-fluoro-3-nitrobenzenesulfonic acid, 4-Fluoro-3-nitrobenzenesulphonic acid, 4-Fluoro-3-nitrobenzene-1-sulfonic acid, Benzenesulfonic acid, 4-fluoro-3-nitro-, 4-Fluor-3-nitro-benzolsulfonsaeure
| Molecular Formula | C6H4FNO5S |
|---|---|
| Molecular Weight | 220.98 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.97942 |
| Heavy Atoms | 14 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 3888-84-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])F |
| InChIKey | OOJWQLSHYOELSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氟-3-硝基苯磺酸 (CAS 3888-84-4), with molecular formula C6H4FNO5S and molecular weight 220.98 g/mol. IUPAC: 4-fluoro-3-nitrobenzenesulfonic acid.
Chemical Property Profile of 4-氟-3-硝基苯磺酸
Property Insights of 4-氟-3-硝基苯磺酸
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氟-3-硝基苯磺酸. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-氟-3-硝基苯磺酸. Following Lipinski's Rule of Five, 4-氟-3-硝基苯磺酸 has 1 hydrogen bond donor(s) and 6 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 4-氟-3-硝基苯磺酸?
The CAS number of 4-氟-3-硝基苯磺酸 is 3888-84-4.
What is the molecular formula of 4-氟-3-硝基苯磺酸?
The molecular formula of 4-氟-3-硝基苯磺酸 is C6H4FNO5S.
What is the molecular weight of 4-氟-3-硝基苯磺酸?
The molecular weight of 4-氟-3-硝基苯磺酸 is 220.98 g/mol.
Where can I buy 4-氟-3-硝基苯磺酸?
You can request a quote for 4-氟-3-硝基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氟-3-硝基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-氟-3-硝基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.