AF-399/13855018
TL;DR: AF-399/13855018 (CAS 474258-00-9) is a chemical compound with molecular formula C14H14F4N2O4 and molecular weight 350.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(3-fluorophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/13855018, ethyl 6-(3-fluorophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-(3-fluorophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 6-(3-fluorophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
| Molecular Formula | C14H14F4N2O4 |
|---|---|
| Molecular Weight | 350.09 g/mol |
| LogP | 1.6098 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.08896 |
| Heavy Atoms | 24 |
| Complexity | 651.90674 |
Chemical Identifiers
| CAS Number | 474258-00-9 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=CC(=CC=C2)F |
Product Overview
AF-399/13855018 (CAS 474258-00-9), with molecular formula C14H14F4N2O4 and molecular weight 350.09 g/mol. IUPAC: ethyl 6-(3-fluorophenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AF-399/13855018
Property Insights of AF-399/13855018
The XLogP value of 1.6098 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/13855018. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/13855018. Following Lipinski's Rule of Five, AF-399/13855018 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 AF-399/13855018?
The CAS number of AF-399/13855018 is 474258-00-9.
What is the molecular formula of AF-399/13855018?
The molecular formula of AF-399/13855018 is C14H14F4N2O4.
What is the molecular weight of AF-399/13855018?
The molecular weight of AF-399/13855018 is 350.09 g/mol.
Where can I buy AF-399/13855018?
You can request a quote for AF-399/13855018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/13855018?
Yes, KEHONG BIO provides custom synthesis services for AF-399/13855018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.