2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile
TL;DR: 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile (CAS 312504-87-3) is a chemical compound with molecular formula C8H13N5 and molecular weight 179.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile
Also Known As: ChemDiv2_002177, 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile, 2,2,3-trimethyl-3-(1h-1,2,3,4-tetrazol-5-yl)butanenitrile, 2,2,3-trimethyl-3-(1H-1,2,3,4-tetraazol-5-yl)butanenitrile, 2,2,3-trimethyl-3-(1H-tetrazol-5-yl)butanenitrile
| Molecular Formula | C8H13N5 |
|---|---|
| Molecular Weight | 179.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.1171 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 312504-87-3 |
|---|---|
| SMILES | CC(C)(C#N)C(C)(C)C1=NNN=N1 |
| InChIKey | XTTUDGKWTOHWNT-UHFFFAOYSA-N |
Product Overview
2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile (CAS 312504-87-3), with molecular formula C8H13N5 and molecular weight 179.12 g/mol. IUPAC: 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile.
Chemical Property Profile of 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile
Property Insights of 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile. Following Lipinski's Rule of Five, 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile has 1 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 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile?
The CAS number of 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile is 312504-87-3.
What is the molecular formula of 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile?
The molecular formula of 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile is C8H13N5.
What is the molecular weight of 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile?
The molecular weight of 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile is 179.12 g/mol.
Where can I buy 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile?
You can request a quote for 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3-trimethyl-3-(2H-tetrazol-5-yl)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.