AF-399/40756951
TL;DR: AF-399/40756951 (CAS 459153-62-9) is a chemical compound with molecular formula C21H21F3N2O5 and molecular weight 438.14 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-(3-phenoxyphenyl)-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/40756951, ethyl 6-hydroxy-1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-hydroxy-1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 6-hydroxy-1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
| Molecular Formula | C21H21F3N2O5 |
|---|---|
| Molecular Weight | 438.14 g/mol |
| LogP | 3.6052 |
| Topological Polar Surface Area | 88.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 438.14026 |
| Heavy Atoms | 31 |
| Complexity | 953.53143 |
Chemical Identifiers
| CAS Number | 459153-62-9 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=O)N(C1(C(F)(F)F)O)C)C2=CC(=CC=C2)OC3=CC=CC=C3 |
Product Overview
AF-399/40756951 (CAS 459153-62-9), with molecular formula C21H21F3N2O5 and molecular weight 438.14 g/mol. IUPAC: ethyl 6-hydroxy-1-methyl-2-oxo-4-(3-phenoxyphenyl)-6-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AF-399/40756951
Property Insights of AF-399/40756951
The XLogP value of 3.6052 indicates that AF-399/40756951 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756951. Following Lipinski's Rule of Five, AF-399/40756951 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-399/40756951?
The CAS number of AF-399/40756951 is 459153-62-9.
What is the molecular formula of AF-399/40756951?
The molecular formula of AF-399/40756951 is C21H21F3N2O5.
What is the molecular weight of AF-399/40756951?
The molecular weight of AF-399/40756951 is 438.14 g/mol.
Where can I buy AF-399/40756951?
You can request a quote for AF-399/40756951 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756951?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756951 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.