AF-399/40756975
TL;DR: AF-399/40756975 (CAS 459155-79-4) is a chemical compound with molecular formula C18H23F3N2O7 and molecular weight 436.15 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-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/40756975, ethyl 6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate, ethyl 6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)hexahydro-5-pyrimidinecarboxylate, ethyl 6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carboxylate
| Molecular Formula | C18H23F3N2O7 |
|---|---|
| Molecular Weight | 436.15 g/mol |
| LogP | 1.8387 |
| Topological Polar Surface Area | 106.56 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 436.14572 |
| Heavy Atoms | 30 |
| Complexity | 792.45514 |
Chemical Identifiers
| CAS Number | 459155-79-4 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
AF-399/40756975 (CAS 459155-79-4), with molecular formula C18H23F3N2O7 and molecular weight 436.15 g/mol. IUPAC: ethyl 6-hydroxy-1-methyl-2-oxo-6-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AF-399/40756975
Property Insights of AF-399/40756975
The XLogP value of 1.8387 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40756975. The TPSA of 106.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756975. Following Lipinski's Rule of Five, AF-399/40756975 has 2 hydrogen bond donor(s) and 7 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-399/40756975?
The CAS number of AF-399/40756975 is 459155-79-4.
What is the molecular formula of AF-399/40756975?
The molecular formula of AF-399/40756975 is C18H23F3N2O7.
What is the molecular weight of AF-399/40756975?
The molecular weight of AF-399/40756975 is 436.15 g/mol.
Where can I buy AF-399/40756975?
You can request a quote for AF-399/40756975 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756975?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756975 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.