3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
TL;DR: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CAS 97821-64-2) is a chemical compound with molecular formula C8H15N3O and molecular weight 169.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Also Known As: 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol, 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol, 3,3-dimethyl-1-(1h-1,2,4-triazol-1-yl)-butan-2-ol
| Molecular Formula | C8H15N3O |
|---|---|
| Molecular Weight | 169.12 g/mol |
| LogP | 0.6851 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.1215 |
| Heavy Atoms | 12 |
| Complexity | 224.95105 |
Chemical Identifiers
| CAS Number | 97821-64-2 |
|---|---|
| SMILES | CC(C)(C)C(CN1C=NC=N1)O |
Product Overview
3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol (CAS 97821-64-2), with molecular formula C8H15N3O and molecular weight 169.12 g/mol. IUPAC: 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol.
Chemical Property Profile of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Property Insights of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
The XLogP value of 0.6851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol. With a topological polar surface area (TPSA) of 50.94 Ų, 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 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 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol?
The CAS number of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol is 97821-64-2.
What is the molecular formula of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol?
The molecular formula of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol is C8H15N3O.
What is the molecular weight of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol?
The molecular weight of 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol is 169.12 g/mol.
Where can I buy 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol?
You can request a quote for 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.