AF-399/40756956
TL;DR: AF-399/40756956 (CAS 459154-97-3) is a chemical compound with molecular formula C14H16F3N3O4 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-hydroxy-1-methyl-2-oxo-4-pyridin-3-yl-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/40756956, ethyl 6-hydroxy-1-methyl-2-oxo-4-(pyridin-3-yl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-hydroxy-1-methyl-2-oxo-4-(3-pyridinyl)-6-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate, ethyl 6-hydroxy-1-methyl-2-oxo-4-pyridin-3-yl-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
| Molecular Formula | C14H16F3N3O4 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 1.2079 |
| Topological Polar Surface Area | 91.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.10928 |
| Heavy Atoms | 24 |
| Complexity | 625.44073 |
Chemical Identifiers
| CAS Number | 459154-97-3 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CN=CC=C2 |
Product Overview
AF-399/40756956 (CAS 459154-97-3), with molecular formula C14H16F3N3O4 and molecular weight 347.11 g/mol. IUPAC: ethyl 6-hydroxy-1-methyl-2-oxo-4-pyridin-3-yl-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AF-399/40756956
Property Insights of AF-399/40756956
The XLogP value of 1.2079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40756956. The TPSA of 91.76 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756956. Following Lipinski's Rule of Five, AF-399/40756956 has 2 hydrogen bond donor(s) and 5 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-399/40756956?
The CAS number of AF-399/40756956 is 459154-97-3.
What is the molecular formula of AF-399/40756956?
The molecular formula of AF-399/40756956 is C14H16F3N3O4.
What is the molecular weight of AF-399/40756956?
The molecular weight of AF-399/40756956 is 347.11 g/mol.
Where can I buy AF-399/40756956?
You can request a quote for AF-399/40756956 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756956?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756956 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.