(E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
TL;DR: (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one (CAS 99736-81-9) is a chemical compound with molecular formula C14H13Cl2N3O and molecular weight 309.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one
Also Known As: BAS 00212554, (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one, (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one, 1-(2,4-Dichloro-phenyl)-4-methyl-2-[1,2,4]triazol-1-yl-pent-1-en-3-one
| Molecular Formula | C14H13Cl2N3O |
|---|---|
| Molecular Weight | 309.04 g/mol |
| LogP | 3.8081 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.04358 |
| Heavy Atoms | 20 |
| Complexity | 648.44354 |
Chemical Identifiers
| CAS Number | 99736-81-9 |
|---|---|
| SMILES | CC(C)C(=O)/C(=C\C1=C(C=C(C=C1)Cl)Cl)/N2C=NC=N2 |
Product Overview
(E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one (CAS 99736-81-9), with molecular formula C14H13Cl2N3O and molecular weight 309.04 g/mol. IUPAC: (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one.
Chemical Property Profile of (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
Property Insights of (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one
The XLogP value of 3.8081 indicates that (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one 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 (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one?
The CAS number of (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one is 99736-81-9.
What is the molecular formula of (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one?
The molecular formula of (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one is C14H13Cl2N3O.
What is the molecular weight of (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one?
The molecular weight of (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one is 309.04 g/mol.
Where can I buy (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one?
You can request a quote for (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-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)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-1,2,4-triazol-1-yl)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2,4-dichlorophenyl)-4-methyl-2-(1H-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.