ChemDiv3_003447
TL;DR: ChemDiv3_003447 (CAS 374561-32-7) is a chemical compound with molecular formula C18H15F3N2O4 and molecular weight 380.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzoyl-4-hydroxy-6-(4-hydroxyphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one
Also Known As: ChemDiv3_003447, IDI1_021357, BAS 03353563, 5-benzoyl-4-hydroxy-6-(4-hydroxyphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one, 5-benzoyl-4-hydroxy-6-(4-hydroxyphenyl)-4-(trifluoromethyl)tetrahydropyrimidin-2(1H)-one
| Molecular Formula | C18H15F3N2O4 |
|---|---|
| Molecular Weight | 380.10 g/mol |
| LogP | 2.4961 |
| Topological Polar Surface Area | 98.66 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0984 |
| Heavy Atoms | 27 |
| Complexity | 855.1605 |
Chemical Identifiers
| CAS Number | 374561-32-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2C(NC(=O)NC2(C(F)(F)F)O)C3=CC=C(C=C3)O |
Product Overview
ChemDiv3_003447 (CAS 374561-32-7), with molecular formula C18H15F3N2O4 and molecular weight 380.10 g/mol. IUPAC: 5-benzoyl-4-hydroxy-6-(4-hydroxyphenyl)-4-(trifluoromethyl)-1,3-diazinan-2-one.
Chemical Property Profile of ChemDiv3_003447
Property Insights of ChemDiv3_003447
The XLogP value of 2.4961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_003447. The TPSA of 98.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_003447. Following Lipinski's Rule of Five, ChemDiv3_003447 has 4 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 ChemDiv3_003447?
The CAS number of ChemDiv3_003447 is 374561-32-7.
What is the molecular formula of ChemDiv3_003447?
The molecular formula of ChemDiv3_003447 is C18H15F3N2O4.
What is the molecular weight of ChemDiv3_003447?
The molecular weight of ChemDiv3_003447 is 380.10 g/mol.
Where can I buy ChemDiv3_003447?
You can request a quote for ChemDiv3_003447 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_003447?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_003447 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.