Embeconazole
TL;DR: Embeconazole (CAS 329744-44-7) is a chemical compound with molecular formula C27H25F3N4O3S and molecular weight 542.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1E,3E)-4-[5-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile
Also Known As: Embeconazole, Embeconazole [INN], Embeconazol, J1.614.916K, 4-[(1E,3E)-4-[5-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile
| Molecular Formula | C27H25F3N4O3S |
|---|---|
| Molecular Weight | 542.16 g/mol |
| LogP | 4.58768 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.16 |
| Heavy Atoms | 38 |
| Complexity | 1337.8309 |
Chemical Identifiers
| CAS Number | 329744-44-7 |
|---|---|
| SMILES | C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)/C=C/C=C/C4=C(C=C(C=C4)C#N)F |
Product Overview
Embeconazole (CAS 329744-44-7), with molecular formula C27H25F3N4O3S and molecular weight 542.16 g/mol. IUPAC: 4-[(1E,3E)-4-[5-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile.
Chemical Property Profile of Embeconazole
Property Insights of Embeconazole
The XLogP value of 4.58768 indicates that Embeconazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Embeconazole. Following Lipinski's Rule of Five, Embeconazole has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Embeconazole?
The CAS number of Embeconazole is 329744-44-7.
What is the molecular formula of Embeconazole?
The molecular formula of Embeconazole is C27H25F3N4O3S.
What is the molecular weight of Embeconazole?
The molecular weight of Embeconazole is 542.16 g/mol.
Where can I buy Embeconazole?
You can request a quote for Embeconazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Embeconazole?
Yes, KEHONG BIO provides custom synthesis services for Embeconazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.