![1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone structure](/static/products/6773/677329-12-3.webp)
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone
TL;DR: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone (CAS 677329-12-3) is a chemical compound with molecular formula C18H16F4N4O3S and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone
Also Known As: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone, 1-[3,5-BIS(DIFLUOROMETHYL)-5-HYDROXY-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-2-{[4-(4-METHOXYPHENYL)-2-PYRIMIDINYL]SULFANYL}-1-ETHANONE, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4,5-dihydro-1H-pyrazol-1-yl]-2-{[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl}ethanone
| Molecular Formula | C18H16F4N4O3S |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 3.0514 |
| Topological Polar Surface Area | 87.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.08792 |
| Heavy Atoms | 30 |
| Complexity | 945.2837 |
Chemical Identifiers
| CAS Number | 677329-12-3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NC=C2)SCC(=O)N3C(CC(=N3)C(F)F)(C(F)F)O |
Product Overview
1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone (CAS 677329-12-3), with molecular formula C18H16F4N4O3S and molecular weight 444.09 g/mol. IUPAC: 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone.
Chemical Property Profile of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone
Property Insights of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone
The XLogP value of 3.0514 indicates that 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone. Following Lipinski's Rule of Five, 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone has 1 hydrogen bond donor(s) and 7 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-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone?
The CAS number of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone is 677329-12-3.
What is the molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone?
The molecular formula of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone is C18H16F4N4O3S.
What is the molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone?
The molecular weight of 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone is 444.09 g/mol.
Where can I buy 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone?
You can request a quote for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3,5-bis(difluoromethyl)-5-hydroxy-4H-pyrazol-1-yl]-2-[4-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.