5-(propan-2-yl)-1H-1,2,3,4-tetrazole
TL;DR: 5-(propan-2-yl)-1H-1,2,3,4-tetrazole (CAS 68808-74-2) is a chemical compound with molecular formula C4H8N4 and molecular weight 112.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-propan-2-yl-2H-tetrazole
Also Known As: 5-isopropyl-1H-tetrazole, ISOPROPYL TETRAZOLE, i-propyltetrazole, IsopropylTetrazole, 5-isopropyl-2h-tetrazole
| Molecular Formula | C4H8N4 |
|---|---|
| Molecular Weight | 112.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 112.0749 |
| Heavy Atoms | 8 |
| Complexity | 72.0 |
Chemical Identifiers
| CAS Number | 68808-74-2 |
|---|---|
| SMILES | CC(C)C1=NNN=N1 |
| InChIKey | RFFXUEDBNNOGDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(propan-2-yl)-1H-1,2,3,4-tetrazole (CAS 68808-74-2), with molecular formula C4H8N4 and molecular weight 112.07 g/mol. IUPAC: 5-propan-2-yl-2H-tetrazole.
Chemical Property Profile of 5-(propan-2-yl)-1H-1,2,3,4-tetrazole
Property Insights of 5-(propan-2-yl)-1H-1,2,3,4-tetrazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(propan-2-yl)-1H-1,2,3,4-tetrazole. With a topological polar surface area (TPSA) of 54.5 Ų, 5-(propan-2-yl)-1H-1,2,3,4-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(propan-2-yl)-1H-1,2,3,4-tetrazole has 1 hydrogen bond donor(s) and 3 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 5-(propan-2-yl)-1H-1,2,3,4-tetrazole?
The CAS number of 5-(propan-2-yl)-1H-1,2,3,4-tetrazole is 68808-74-2.
What is the molecular formula of 5-(propan-2-yl)-1H-1,2,3,4-tetrazole?
The molecular formula of 5-(propan-2-yl)-1H-1,2,3,4-tetrazole is C4H8N4.
What is the molecular weight of 5-(propan-2-yl)-1H-1,2,3,4-tetrazole?
The molecular weight of 5-(propan-2-yl)-1H-1,2,3,4-tetrazole is 112.07 g/mol.
Where can I buy 5-(propan-2-yl)-1H-1,2,3,4-tetrazole?
You can request a quote for 5-(propan-2-yl)-1H-1,2,3,4-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(propan-2-yl)-1H-1,2,3,4-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(propan-2-yl)-1H-1,2,3,4-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.