AF-399/15601046
TL;DR: AF-399/15601046 (CAS 459147-58-1) is a chemical compound with molecular formula C16H19F3N2O6 and molecular weight 392.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2,3-dimethoxyphenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/15601046, ethyl 6-(2,3-dimethoxyphenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-(2,3-dimethoxyphenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 6-(2,3-dimethoxyphenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
| Molecular Formula | C16H19F3N2O6 |
|---|---|
| Molecular Weight | 392.12 g/mol |
| LogP | 1.4879 |
| Topological Polar Surface Area | 106.12 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.1195 |
| Heavy Atoms | 27 |
| Complexity | 726.5974 |
Chemical Identifiers
| CAS Number | 459147-58-1 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)NC1(C(F)(F)F)O)C2=C(C(=CC=C2)OC)OC |
Product Overview
AF-399/15601046 (CAS 459147-58-1), with molecular formula C16H19F3N2O6 and molecular weight 392.12 g/mol. IUPAC: ethyl 6-(2,3-dimethoxyphenyl)-4-hydroxy-2-oxo-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AF-399/15601046
Property Insights of AF-399/15601046
The XLogP value of 1.4879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/15601046. The TPSA of 106.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15601046. Following Lipinski's Rule of Five, AF-399/15601046 has 3 hydrogen bond donor(s) and 6 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-399/15601046?
The CAS number of AF-399/15601046 is 459147-58-1.
What is the molecular formula of AF-399/15601046?
The molecular formula of AF-399/15601046 is C16H19F3N2O6.
What is the molecular weight of AF-399/15601046?
The molecular weight of AF-399/15601046 is 392.12 g/mol.
Where can I buy AF-399/15601046?
You can request a quote for AF-399/15601046 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15601046?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15601046 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.