![6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one structure](/static/products/1005/1005046-69-4.webp)
6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005046-69-4) is a chemical compound with molecular formula C20H14ClF3N2O4S and molecular weight 470.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophen-2-ylcarbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C20H14ClF3N2O4S |
|---|---|
| Molecular Weight | 470.03 g/mol |
| LogP | 4.7654 |
| Topological Polar Surface Area | 91.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.0315 |
| Heavy Atoms | 31 |
| Complexity | 1131.6559 |
Chemical Identifiers
| CAS Number | 1005046-69-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C3C(C(NC(=O)N3)(C(F)(F)F)O)C(=O)C4=CC=CS4 |
Product Overview
6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005046-69-4), with molecular formula C20H14ClF3N2O4S and molecular weight 470.03 g/mol. IUPAC: 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 4.7654 indicates that 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has 3 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 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 1005046-69-4.
What is the molecular formula of 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is C20H14ClF3N2O4S.
What is the molecular weight of 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 470.03 g/mol.
Where can I buy 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(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 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[5-(3-chlorophenyl)furan-2-yl]-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.