C18H12Cl3F3N2O3
TL;DR: C18H12Cl3F3N2O3 (CAS 1005096-48-9) is a chemical compound with molecular formula C18H12Cl3F3N2O3 and molecular weight 465.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chlorobenzoyl)-6-(3,4-dichlorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: 5-(4-chlorobenzoyl)-6-(3,4-dichlorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-(4-CHLOROBENZOYL)-6-(3,4-DICHLOROPHENYL)-4-HYDROXY-4-(TRIFLUOROMETHYL)TETRAHYDRO-2(1H)-PYRIMIDINONE, (4-chlorophenyl)[6-(3,4-dichlorophenyl)-2,4-dihydroxy-4-(trifluoromethyl)-1,4,5,6-tetrahydropyrimidin-5-yl]methanone, 5-(4-chlorobenzoyl)-6-(3,4-dichlorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one, 5-[(4-chlorophenyl)carbonyl]-6-(3,4-dichlorophenyl)-4-hydroxy-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C18H12Cl3F3N2O3 |
|---|---|
| Molecular Weight | 465.99 g/mol |
| LogP | 4.7507 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 465.98657 |
| Heavy Atoms | 29 |
| Complexity | 969.0591 |
Chemical Identifiers
| CAS Number | 1005096-48-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC(=C(C=C3)Cl)Cl)Cl |
Product Overview
C18H12Cl3F3N2O3 (CAS 1005096-48-9), with molecular formula C18H12Cl3F3N2O3 and molecular weight 465.99 g/mol. IUPAC: 5-(4-chlorobenzoyl)-6-(3,4-dichlorophenyl)-4-hydroxy-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of C18H12Cl3F3N2O3
Property Insights of C18H12Cl3F3N2O3
The XLogP value of 4.7507 indicates that C18H12Cl3F3N2O3 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 C18H12Cl3F3N2O3. Following Lipinski's Rule of Five, C18H12Cl3F3N2O3 has 3 hydrogen bond donor(s) and 3 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 C18H12Cl3F3N2O3?
The CAS number of C18H12Cl3F3N2O3 is 1005096-48-9.
What is the molecular formula of C18H12Cl3F3N2O3?
The molecular formula of C18H12Cl3F3N2O3 is C18H12Cl3F3N2O3.
What is the molecular weight of C18H12Cl3F3N2O3?
The molecular weight of C18H12Cl3F3N2O3 is 465.99 g/mol.
Where can I buy C18H12Cl3F3N2O3?
You can request a quote for C18H12Cl3F3N2O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H12Cl3F3N2O3?
Yes, KEHONG BIO provides custom synthesis services for C18H12Cl3F3N2O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.