1-(4-Butoxyphenyl)sulfonylbenzotriazole
TL;DR: 1-(4-Butoxyphenyl)sulfonylbenzotriazole (CAS 311782-36-2) is a chemical compound with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-butoxyphenyl)sulfonylbenzotriazole
Also Known As: ChemDiv1_025654, 1-(4-butoxyphenyl)sulfonylbenzotriazole, 1-(4-butoxybenzenesulfonyl)-1H-1,2,3-benzotriazole, [(4-butoxyphenyl)sulfonyl]benzotriazole, 1-((4-butoxyphenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole
| Molecular Formula | C16H17N3O3S |
|---|---|
| Molecular Weight | 331.10 g/mol |
| LogP | 2.8472 |
| Topological Polar Surface Area | 74.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.09906 |
| Heavy Atoms | 23 |
| Complexity | 901.725 |
Chemical Identifiers
| CAS Number | 311782-36-2 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
1-(4-Butoxyphenyl)sulfonylbenzotriazole (CAS 311782-36-2), with molecular formula C16H17N3O3S and molecular weight 331.10 g/mol. IUPAC: 1-(4-butoxyphenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(4-Butoxyphenyl)sulfonylbenzotriazole
Property Insights of 1-(4-Butoxyphenyl)sulfonylbenzotriazole
The XLogP value of 2.8472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Butoxyphenyl)sulfonylbenzotriazole. The TPSA of 74.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Butoxyphenyl)sulfonylbenzotriazole. Following Lipinski's Rule of Five, 1-(4-Butoxyphenyl)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-(4-Butoxyphenyl)sulfonylbenzotriazole?
The CAS number of 1-(4-Butoxyphenyl)sulfonylbenzotriazole is 311782-36-2.
What is the molecular formula of 1-(4-Butoxyphenyl)sulfonylbenzotriazole?
The molecular formula of 1-(4-Butoxyphenyl)sulfonylbenzotriazole is C16H17N3O3S.
What is the molecular weight of 1-(4-Butoxyphenyl)sulfonylbenzotriazole?
The molecular weight of 1-(4-Butoxyphenyl)sulfonylbenzotriazole is 331.10 g/mol.
Where can I buy 1-(4-Butoxyphenyl)sulfonylbenzotriazole?
You can request a quote for 1-(4-Butoxyphenyl)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-Butoxyphenyl)sulfonylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Butoxyphenyl)sulfonylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.