7-氟-2,1,3-苯并噁二唑-4-磺酸
TL;DR: 7-氟-2,1,3-苯并噁二唑-4-磺酸 (CAS 91575-54-1) is a chemical compound with molecular formula C6H3FN2O4S and molecular weight 217.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-氟-2,1,3-苯并噁二唑-4-磺酸
7-fluoro-2,1,3-benzoxadiazole-4-sulfonic acid
Also Known As: 4-Fluoro-7-sulfobenzofurazan, 2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-, 7-fluoro-2,1,3-benzoxadiazole-4-sulfonic acid, 7-fluorobenzofurazane-4-sulfonic acid, J1.014.893F
| Molecular Formula | C6H3FN2O4S |
|---|---|
| Molecular Weight | 217.98 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 217.97975 |
| Heavy Atoms | 14 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 91575-54-1 |
|---|---|
| SMILES | C1=C(C2=NON=C2C(=C1)S(=O)(=O)O)F |
| InChIKey | BXHVBQRYTWNRSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-氟-2,1,3-苯并噁二唑-4-磺酸 (CAS 91575-54-1), with molecular formula C6H3FN2O4S and molecular weight 217.98 g/mol. IUPAC: 7-fluoro-2,1,3-benzoxadiazole-4-sulfonic acid.
Chemical Property Profile of 7-氟-2,1,3-苯并噁二唑-4-磺酸
Property Insights of 7-氟-2,1,3-苯并噁二唑-4-磺酸
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-氟-2,1,3-苯并噁二唑-4-磺酸. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-氟-2,1,3-苯并噁二唑-4-磺酸. Following Lipinski's Rule of Five, 7-氟-2,1,3-苯并噁二唑-4-磺酸 has 1 hydrogen bond donor(s) and 7 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 7-氟-2,1,3-苯并噁二唑-4-磺酸?
The CAS number of 7-氟-2,1,3-苯并噁二唑-4-磺酸 is 91575-54-1.
What is the molecular formula of 7-氟-2,1,3-苯并噁二唑-4-磺酸?
The molecular formula of 7-氟-2,1,3-苯并噁二唑-4-磺酸 is C6H3FN2O4S.
What is the molecular weight of 7-氟-2,1,3-苯并噁二唑-4-磺酸?
The molecular weight of 7-氟-2,1,3-苯并噁二唑-4-磺酸 is 217.98 g/mol.
Where can I buy 7-氟-2,1,3-苯并噁二唑-4-磺酸?
You can request a quote for 7-氟-2,1,3-苯并噁二唑-4-磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-氟-2,1,3-苯并噁二唑-4-磺酸?
Yes, KEHONG BIO provides custom synthesis services for 7-氟-2,1,3-苯并噁二唑-4-磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.