![4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one structure](/static/products/1005/1005093-36-6.webp)
4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005093-36-6) is a chemical compound with molecular formula C18H15F5N2O4S and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one, F1079-0246, 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophen-2-ylcarbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 4-(4-(difluoromethoxy)phenyl)-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C18H15F5N2O4S |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 3.7956 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.06726 |
| Heavy Atoms | 30 |
| Complexity | 919.658 |
Chemical Identifiers
| CAS Number | 1005093-36-6 |
|---|---|
| SMILES | CN1C(=O)NC(C(C1(C(F)(F)F)O)C(=O)C2=CC=CS2)C3=CC=C(C=C3)OC(F)F |
Product Overview
4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005093-36-6), with molecular formula C18H15F5N2O4S and molecular weight 450.07 g/mol. IUPAC: 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 3.7956 indicates that 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one has 2 hydrogen bond donor(s) and 5 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 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one is 1005093-36-6.
What is the molecular formula of 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one is C18H15F5N2O4S.
What is the molecular weight of 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one is 450.07 g/mol.
Where can I buy 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(difluoromethoxy)phenyl]-6-hydroxy-1-methyl-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.