1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole
TL;DR: 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole (CAS 799265-79-5) is a chemical compound with molecular formula C13H10FN3O3S and molecular weight 307.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-fluoro-2-methoxyphenyl)sulfonylbenzotriazole
Also Known As: 1-(5-fluoro-2-methoxyphenyl)sulfonylbenzotriazole, BAS 07243543, AP-263/42234241, 2-(benzotriazolylsulfonyl)-4-fluoro-1-methoxybenzene, 1-(5-Fluoro-2-methoxy-benzenesulfonyl)-1H-benzotriazole
| Molecular Formula | C13H10FN3O3S |
|---|---|
| Molecular Weight | 307.04 g/mol |
| LogP | 1.816 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.0427 |
| Heavy Atoms | 21 |
| Complexity | 921.3111 |
Chemical Identifiers
| CAS Number | 799265-79-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)F)S(=O)(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole (CAS 799265-79-5), with molecular formula C13H10FN3O3S and molecular weight 307.04 g/mol. IUPAC: 1-(5-fluoro-2-methoxyphenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole
Property Insights of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole
The XLogP value of 1.816 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole. Following Lipinski's Rule of Five, 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole has 0 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 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole?
The CAS number of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole is 799265-79-5.
What is the molecular formula of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole?
The molecular formula of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole is C13H10FN3O3S.
What is the molecular weight of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole?
The molecular weight of 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole is 307.04 g/mol.
Where can I buy 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole?
You can request a quote for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.