AF-399/40756970
TL;DR: AF-399/40756970 (CAS 459155-80-7) is a chemical compound with molecular formula C15H16ClF3N2O4 and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-chlorophenyl)-6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/40756970, ethyl 4-(4-chlorophenyl)-6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 4-(4-chlorophenyl)-6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 4-(4-chlorophenyl)-6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
| Molecular Formula | C15H16ClF3N2O4 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 2.4663 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.07507 |
| Heavy Atoms | 25 |
| Complexity | 667.7355 |
Chemical Identifiers
| CAS Number | 459155-80-7 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC=C(C=C2)Cl |
Product Overview
AF-399/40756970 (CAS 459155-80-7), with molecular formula C15H16ClF3N2O4 and molecular weight 380.08 g/mol. IUPAC: ethyl 4-(4-chlorophenyl)-6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AF-399/40756970
Property Insights of AF-399/40756970
The XLogP value of 2.4663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40756970. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756970. Following Lipinski's Rule of Five, AF-399/40756970 has 2 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-399/40756970?
The CAS number of AF-399/40756970 is 459155-80-7.
What is the molecular formula of AF-399/40756970?
The molecular formula of AF-399/40756970 is C15H16ClF3N2O4.
What is the molecular weight of AF-399/40756970?
The molecular weight of AF-399/40756970 is 380.08 g/mol.
Where can I buy AF-399/40756970?
You can request a quote for AF-399/40756970 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756970?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756970 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.