AF-399/15601101
TL;DR: AF-399/15601101 (CAS 474263-91-7) is a chemical compound with molecular formula C16H19F3N2O5S and molecular weight 408.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AF-399/15601101, ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
| Molecular Formula | C16H19F3N2O5S |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 1.7399 |
| Topological Polar Surface Area | 100.05 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.09668 |
| Heavy Atoms | 27 |
| Complexity | 730.49756 |
Chemical Identifiers
| CAS Number | 474263-91-7 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2C(C(NC(=S)N2)(C(F)(F)F)O)C(=O)OCC)O |
Product Overview
AF-399/15601101 (CAS 474263-91-7), with molecular formula C16H19F3N2O5S and molecular weight 408.10 g/mol. IUPAC: ethyl 6-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AF-399/15601101
Property Insights of AF-399/15601101
The XLogP value of 1.7399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/15601101. The TPSA of 100.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/15601101. Following Lipinski's Rule of Five, AF-399/15601101 has 4 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-399/15601101?
The CAS number of AF-399/15601101 is 474263-91-7.
What is the molecular formula of AF-399/15601101?
The molecular formula of AF-399/15601101 is C16H19F3N2O5S.
What is the molecular weight of AF-399/15601101?
The molecular weight of AF-399/15601101 is 408.10 g/mol.
Where can I buy AF-399/15601101?
You can request a quote for AF-399/15601101 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/15601101?
Yes, KEHONG BIO provides custom synthesis services for AF-399/15601101 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.