AS-871/15601094
TL;DR: AS-871/15601094 (CAS 474263-89-3) 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-(2,4-dimethoxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AS-871/15601094, ethyl 6-(2,4-dimethoxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-(2,4-dimethoxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 6-(2,4-dimethoxyphenyl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate
| Molecular Formula | C16H19F3N2O5S |
|---|---|
| Molecular Weight | 408.10 g/mol |
| LogP | 1.6528 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.09668 |
| Heavy Atoms | 27 |
| Complexity | 730.49756 |
Chemical Identifiers
| CAS Number | 474263-89-3 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=C(C=C(C=C2)OC)OC |
Product Overview
AS-871/15601094 (CAS 474263-89-3), with molecular formula C16H19F3N2O5S and molecular weight 408.10 g/mol. IUPAC: ethyl 6-(2,4-dimethoxyphenyl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AS-871/15601094
Property Insights of AS-871/15601094
The XLogP value of 1.6528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/15601094. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/15601094. Following Lipinski's Rule of Five, AS-871/15601094 has 3 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 AS-871/15601094?
The CAS number of AS-871/15601094 is 474263-89-3.
What is the molecular formula of AS-871/15601094?
The molecular formula of AS-871/15601094 is C16H19F3N2O5S.
What is the molecular weight of AS-871/15601094?
The molecular weight of AS-871/15601094 is 408.10 g/mol.
Where can I buy AS-871/15601094?
You can request a quote for AS-871/15601094 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/15601094?
Yes, KEHONG BIO provides custom synthesis services for AS-871/15601094 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.