Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
TL;DR: Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-27-6) is a chemical compound with molecular formula C10H8FN3O4S and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-carbamoyl-1H-imidazol-4-yl) 4-fluorobenzenesulfonate
Also Known As: 5-(Aminocarbonyl)-1H-imidazol-4-yl 4-fluorobenzenesulfonate, 5-Carbamoyl-1H-imidazole-4-yl 4'-fluorobenzenesulfonate, Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester, (5-carbamoyl-1H-imidazol-4-yl) 4-fluorobenzenesulfonate, 5-Carbamoyl-1H-imidazol-4-yl 4-fluorobenzene-1-sulfonate
| Molecular Formula | C10H8FN3O4S |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 0.4154 |
| Topological Polar Surface Area | 115.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.02194 |
| Heavy Atoms | 19 |
| Complexity | 708.6309 |
Chemical Identifiers
| CAS Number | 78682-27-6 |
|---|---|
| SMILES | C1=CC(=CC=C1F)S(=O)(=O)OC2=C(NC=N2)C(=O)N |
Product Overview
Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester (CAS 78682-27-6), with molecular formula C10H8FN3O4S and molecular weight 285.02 g/mol. IUPAC: (5-carbamoyl-1H-imidazol-4-yl) 4-fluorobenzenesulfonate.
Chemical Property Profile of Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
Property Insights of Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester
The XLogP value of 0.4154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. The TPSA of 115.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester 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 Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The CAS number of Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 78682-27-6.
What is the molecular formula of Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular formula of Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is C10H8FN3O4S.
What is the molecular weight of Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
The molecular weight of Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester is 285.02 g/mol.
Where can I buy Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
You can request a quote for Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-fluoro-, 5-(aminocarbonyl)-1H-imidazol-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.