6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
TL;DR: 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005065-25-7) is a chemical compound with molecular formula C16H11ClF4N2O3S and molecular weight 422.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, F1260-1224, 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(2-thienylcarbonyl)-4-(trifluoromethyl)tetrahydro-2(1H)-pyrimidinone, 6-(6-chloro-2-fluorophenyl)-4-hydroxy-5-(2-thienylcarbonyl)-4-(trifluoromethyl )-1,3-diazaperhydroin-2-one
| Molecular Formula | C16H11ClF4N2O3S |
|---|---|
| Molecular Weight | 422.01 g/mol |
| LogP | 3.6445 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 422.0115 |
| Heavy Atoms | 27 |
| Complexity | 870.0357 |
Chemical Identifiers
| CAS Number | 1005065-25-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2C(C(NC(=O)N2)(C(F)(F)F)O)C(=O)C3=CC=CS3)F |
Product Overview
6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one (CAS 1005065-25-7), with molecular formula C16H11ClF4N2O3S and molecular weight 422.01 g/mol. IUPAC: 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Property Insights of 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
The XLogP value of 3.6445 indicates that 6-(2-chloro-6-fluorophenyl)-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 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one. Following Lipinski's Rule of Five, 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one has 3 hydrogen bond donor(s) and 4 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-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The CAS number of 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 1005065-25-7.
What is the molecular formula of 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular formula of 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is C16H11ClF4N2O3S.
What is the molecular weight of 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
The molecular weight of 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one is 422.01 g/mol.
Where can I buy 6-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
You can request a quote for 6-(2-chloro-6-fluorophenyl)-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-(2-chloro-6-fluorophenyl)-4-hydroxy-5-(thiophene-2-carbonyl)-4-(trifluoromethyl)-1,3-diazinan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2-chloro-6-fluorophenyl)-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.