2,4,6-Triisopropylbenzenesulfonyltetrazole
TL;DR: 2,4,6-Triisopropylbenzenesulfonyltetrazole (CAS 66045-75-8) is a chemical compound with molecular formula C16H24N4O2S and molecular weight 336.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltetrazole
Also Known As: 2,4,6-Tipbt, 2,4,6-Triisopropylbenzenesulfonyltetrazole, 1-[(2,4,6-triisopropylphenyl)sulfonyl]-1h-tetrazole, 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltetrazole, 1-(2,4,6-triisopropyl-benzenesulfonyl)-1H-tetrazole
| Molecular Formula | C16H24N4O2S |
|---|---|
| Molecular Weight | 336.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.162 |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 66045-75-8 |
|---|---|
| SMILES | CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N2C=NN=N2)C(C)C |
| InChIKey | PWLNMVIUTUFFSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Triisopropylbenzenesulfonyltetrazole (CAS 66045-75-8), with molecular formula C16H24N4O2S and molecular weight 336.16 g/mol. IUPAC: 1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyltetrazole.
Chemical Property Profile of 2,4,6-Triisopropylbenzenesulfonyltetrazole
Property Insights of 2,4,6-Triisopropylbenzenesulfonyltetrazole
The XLogP value of 4.2 indicates that 2,4,6-Triisopropylbenzenesulfonyltetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,6-Triisopropylbenzenesulfonyltetrazole. Following Lipinski's Rule of Five, 2,4,6-Triisopropylbenzenesulfonyltetrazole 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 2,4,6-Triisopropylbenzenesulfonyltetrazole?
The CAS number of 2,4,6-Triisopropylbenzenesulfonyltetrazole is 66045-75-8.
What is the molecular formula of 2,4,6-Triisopropylbenzenesulfonyltetrazole?
The molecular formula of 2,4,6-Triisopropylbenzenesulfonyltetrazole is C16H24N4O2S.
What is the molecular weight of 2,4,6-Triisopropylbenzenesulfonyltetrazole?
The molecular weight of 2,4,6-Triisopropylbenzenesulfonyltetrazole is 336.16 g/mol.
Where can I buy 2,4,6-Triisopropylbenzenesulfonyltetrazole?
You can request a quote for 2,4,6-Triisopropylbenzenesulfonyltetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Triisopropylbenzenesulfonyltetrazole?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Triisopropylbenzenesulfonyltetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.