1-(4-Tert-butylphenyl)sulfonylbenzotriazole
TL;DR: 1-(4-Tert-butylphenyl)sulfonylbenzotriazole (CAS 301314-63-6) is a chemical compound with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)sulfonylbenzotriazole
Also Known As: 1-(4-tert-butylphenyl)sulfonylbenzotriazole, BAS 00719470, {[4-(tert-butyl)phenyl]sulfonyl}benzotriazole, 1-[[4-(1,1-Dimethylethyl)phenyl]sulfonyl]-1H-benzotriazole, 1-(4-tert-Butyl-benzenesulfonyl)-1H-benzotriazole
| Molecular Formula | C16H17N3O2S |
|---|---|
| Molecular Weight | 315.10 g/mol |
| LogP | 2.9658 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 315.10416 |
| Heavy Atoms | 22 |
| Complexity | 919.9294 |
Chemical Identifiers
| CAS Number | 301314-63-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
1-(4-Tert-butylphenyl)sulfonylbenzotriazole (CAS 301314-63-6), with molecular formula C16H17N3O2S and molecular weight 315.10 g/mol. IUPAC: 1-(4-tert-butylphenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-(4-Tert-butylphenyl)sulfonylbenzotriazole
Property Insights of 1-(4-Tert-butylphenyl)sulfonylbenzotriazole
The XLogP value of 2.9658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Tert-butylphenyl)sulfonylbenzotriazole. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Tert-butylphenyl)sulfonylbenzotriazole. Following Lipinski's Rule of Five, 1-(4-Tert-butylphenyl)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-Tert-butylphenyl)sulfonylbenzotriazole?
The CAS number of 1-(4-Tert-butylphenyl)sulfonylbenzotriazole is 301314-63-6.
What is the molecular formula of 1-(4-Tert-butylphenyl)sulfonylbenzotriazole?
The molecular formula of 1-(4-Tert-butylphenyl)sulfonylbenzotriazole is C16H17N3O2S.
What is the molecular weight of 1-(4-Tert-butylphenyl)sulfonylbenzotriazole?
The molecular weight of 1-(4-Tert-butylphenyl)sulfonylbenzotriazole is 315.10 g/mol.
Where can I buy 1-(4-Tert-butylphenyl)sulfonylbenzotriazole?
You can request a quote for 1-(4-Tert-butylphenyl)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-Tert-butylphenyl)sulfonylbenzotriazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butylphenyl)sulfonylbenzotriazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.