1-(4-Fluorophenyl)sulfonylbenzotriazole
TL;DR: 1-(4-Fluorophenyl)sulfonylbenzotriazole (CAS 139887-29-9) is a chemical compound with molecular formula C12H8FN3O2S and molecular weight 277.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)sulfonylbenzotriazole
Also Known As: ChemDiv1_025477, 1-(4-fluorophenyl)sulfonylbenzotriazole, 1-(benzotriazolylsulfonyl)-4-fluorobenzene, BIM-0021287.P001, 1-(4-fluorobenzenesulfonyl)-1H-1,2,3-benzotriazole
| Molecular Formula | C12H8FN3O2S |
|---|---|
| Molecular Weight | 277.03 g/mol |
| LogP | 1.8074 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.03214 |
| Heavy Atoms | 19 |
| Complexity | 840.7968 |
Chemical Identifiers
| CAS Number | 139887-29-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=C(C=C3)F |
Product Overview
1-(4-Fluorophenyl)sulfonylbenzotriazole (CAS 139887-29-9), with molecular formula C12H8FN3O2S and molecular weight 277.03 g/mol. IUPAC: 1-(4-fluorophenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(4-Fluorophenyl)sulfonylbenzotriazole
Property Insights of 1-(4-Fluorophenyl)sulfonylbenzotriazole
The XLogP value of 1.8074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Fluorophenyl)sulfonylbenzotriazole. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Fluorophenyl)sulfonylbenzotriazole. Following Lipinski's Rule of Five, 1-(4-Fluorophenyl)sulfonylbenzotriazole has 0 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 1-(4-Fluorophenyl)sulfonylbenzotriazole?
The CAS number of 1-(4-Fluorophenyl)sulfonylbenzotriazole is 139887-29-9.
What is the molecular formula of 1-(4-Fluorophenyl)sulfonylbenzotriazole?
The molecular formula of 1-(4-Fluorophenyl)sulfonylbenzotriazole is C12H8FN3O2S.
What is the molecular weight of 1-(4-Fluorophenyl)sulfonylbenzotriazole?
The molecular weight of 1-(4-Fluorophenyl)sulfonylbenzotriazole is 277.03 g/mol.
Where can I buy 1-(4-Fluorophenyl)sulfonylbenzotriazole?
You can request a quote for 1-(4-Fluorophenyl)sulfonylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Fluorophenyl)sulfonylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Fluorophenyl)sulfonylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.