1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-
TL;DR: 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- (CAS 104940-88-7) is a chemical compound with molecular formula C9H13N3O and molecular weight 179.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
Also Known As: 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-, 4,4-dimethyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one, 4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one, 4,4-Dimethyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
| Molecular Formula | C9H13N3O |
|---|---|
| Molecular Weight | 179.11 g/mol |
| LogP | 1.364 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.10587 |
| Heavy Atoms | 13 |
| Complexity | 319.12906 |
Chemical Identifiers
| CAS Number | 104940-88-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=C)N1C=NC=N1 |
Product Overview
1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- (CAS 104940-88-7), with molecular formula C9H13N3O and molecular weight 179.11 g/mol. IUPAC: 4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one.
Chemical Property Profile of 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-
Property Insights of 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-
The XLogP value of 1.364 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-. With a topological polar surface area (TPSA) of 47.78 Ų, 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- 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 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-?
The CAS number of 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- is 104940-88-7.
What is the molecular formula of 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-?
The molecular formula of 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- is C9H13N3O.
What is the molecular weight of 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-?
The molecular weight of 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- is 179.11 g/mol.
Where can I buy 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-?
You can request a quote for 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Penten-3-one, 4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.