(E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
TL;DR: (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one (CAS 312923-53-8) is a chemical compound with molecular formula C14H16N4O and molecular weight 256.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
Also Known As: BAS 00665668, (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
| Molecular Formula | C14H16N4O |
|---|---|
| Molecular Weight | 256.13 g/mol |
| LogP | 2.2864 |
| Topological Polar Surface Area | 60.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 256.13242 |
| Heavy Atoms | 19 |
| Complexity | 579.66345 |
Chemical Identifiers
| CAS Number | 312923-53-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C(=C\C1=CC=NC=C1)/N2C=NC=N2 |
Product Overview
(E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one (CAS 312923-53-8), with molecular formula C14H16N4O and molecular weight 256.13 g/mol. IUPAC: (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one.
Chemical Property Profile of (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
Property Insights of (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
The XLogP value of 2.2864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one. The TPSA of 60.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one. Following Lipinski's Rule of Five, (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one has 0 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 (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one?
The CAS number of (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one is 312923-53-8.
What is the molecular formula of (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one?
The molecular formula of (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one is C14H16N4O.
What is the molecular weight of (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one?
The molecular weight of (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one is 256.13 g/mol.
Where can I buy (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one?
You can request a quote for (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4,4-dimethyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.