5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde
TL;DR: 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde (CAS 392735-27-2) is a chemical compound with molecular formula C7H11N3O and molecular weight 153.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2H-triazole-4-carbaldehyde
Also Known As: 5-tert-butyl-2H-triazole-4-carbaldehyde, 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde, 4-tert-butyl-1H-1,2,3-triazole-5-carbaldehyde, 5-tert-butyl-2H-1,2,3-triazole-4-carbaldehyde, 4-(tert-butyl)-1H-1,2,3-triazole-5-carbaldehyde
| Molecular Formula | C7H11N3O |
|---|---|
| Molecular Weight | 153.09 g/mol |
| LogP | 0.9147 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.09021 |
| Heavy Atoms | 11 |
| Complexity | 258.89456 |
Chemical Identifiers
| CAS Number | 392735-27-2 |
|---|---|
| SMILES | CC(C)(C)C1=NNN=C1C=O |
Product Overview
5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde (CAS 392735-27-2), with molecular formula C7H11N3O and molecular weight 153.09 g/mol. IUPAC: 5-tert-butyl-2H-triazole-4-carbaldehyde.
Chemical Property Profile of 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde
Property Insights of 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde
The XLogP value of 0.9147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde. With a topological polar surface area (TPSA) of 58.64 Ų, 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde 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-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde?
The CAS number of 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde is 392735-27-2.
What is the molecular formula of 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde?
The molecular formula of 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde is C7H11N3O.
What is the molecular weight of 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde?
The molecular weight of 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde is 153.09 g/mol.
Where can I buy 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde?
You can request a quote for 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-(tert-Butyl)-2H-1,2,3-triazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.