2-(1-adamantyl)-5-methyl-2H-tetrazole
TL;DR: 2-(1-adamantyl)-5-methyl-2H-tetrazole (CAS 170654-75-8) is a chemical compound with molecular formula C12H18N4 and molecular weight 218.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-5-methyltetrazole
Also Known As: 2-(1-adamantyl)-5-methyltetrazole, 2-(1-adamantyl)-5-methyl-2H-tetrazole, 2-Adamantan-1-yl-5-methyl-2H-tetrazole, 2-(adamantan-1-yl)-5-methyl-2h-tetrazole, 2-(1-Adamantyl)-5-methyl-2H-tetraazole #
| Molecular Formula | C12H18N4 |
|---|---|
| Molecular Weight | 218.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.15315 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 170654-75-8 |
|---|---|
| SMILES | CC1=NN(N=N1)C23CC4CC(C2)CC(C4)C3 |
| InChIKey | CRGPKZFJIJYPAB-UHFFFAOYSA-N |
Product Overview
2-(1-adamantyl)-5-methyl-2H-tetrazole (CAS 170654-75-8), with molecular formula C12H18N4 and molecular weight 218.15 g/mol. IUPAC: 2-(1-adamantyl)-5-methyltetrazole.
Chemical Property Profile of 2-(1-adamantyl)-5-methyl-2H-tetrazole
Property Insights of 2-(1-adamantyl)-5-methyl-2H-tetrazole
The XLogP value of 3.1 indicates that 2-(1-adamantyl)-5-methyl-2H-tetrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.6 Ų, 2-(1-adamantyl)-5-methyl-2H-tetrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-adamantyl)-5-methyl-2H-tetrazole has 0 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 2-(1-adamantyl)-5-methyl-2H-tetrazole?
The CAS number of 2-(1-adamantyl)-5-methyl-2H-tetrazole is 170654-75-8.
What is the molecular formula of 2-(1-adamantyl)-5-methyl-2H-tetrazole?
The molecular formula of 2-(1-adamantyl)-5-methyl-2H-tetrazole is C12H18N4.
What is the molecular weight of 2-(1-adamantyl)-5-methyl-2H-tetrazole?
The molecular weight of 2-(1-adamantyl)-5-methyl-2H-tetrazole is 218.15 g/mol.
Where can I buy 2-(1-adamantyl)-5-methyl-2H-tetrazole?
You can request a quote for 2-(1-adamantyl)-5-methyl-2H-tetrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-adamantyl)-5-methyl-2H-tetrazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-adamantyl)-5-methyl-2H-tetrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.