SAPERCONAZOLE
TL;DR: SAPERCONAZOLE (CAS 110588-57-3) is a chemical compound with molecular formula C35H38F2N8O4 and molecular weight 672.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one
Also Known As: SAPERCONAZOLE, Saperconazol, Saperconazolum, Saperconazol [INN-Spanish], Saperconazolum [INN-Latin]
| Molecular Formula | C35H38F2N8O4 |
|---|---|
| Molecular Weight | 672.30 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 672.2984 |
| Heavy Atoms | 49 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 110588-57-3 |
|---|---|
| SMILES | CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@@H]5CO[C@@](O5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F |
| InChIKey | HUADITLKOCMHSB-AVQIMAJZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
SAPERCONAZOLE (CAS 110588-57-3), with molecular formula C35H38F2N8O4 and molecular weight 672.30 g/mol. IUPAC: 2-butan-2-yl-4-[4-[4-[4-[[(2S,4R)-2-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of SAPERCONAZOLE
Property Insights of SAPERCONAZOLE
The XLogP value of 4.6 indicates that SAPERCONAZOLE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for SAPERCONAZOLE. Following Lipinski's Rule of Five, SAPERCONAZOLE has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of SAPERCONAZOLE?
The CAS number of SAPERCONAZOLE is 110588-57-3.
What is the molecular formula of SAPERCONAZOLE?
The molecular formula of SAPERCONAZOLE is C35H38F2N8O4.
What is the molecular weight of SAPERCONAZOLE?
The molecular weight of SAPERCONAZOLE is 672.30 g/mol.
Where can I buy SAPERCONAZOLE?
You can request a quote for SAPERCONAZOLE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SAPERCONAZOLE?
Yes, KEHONG BIO provides custom synthesis services for SAPERCONAZOLE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.