AS-871/15601097
TL;DR: AS-871/15601097 (CAS 376359-94-3) is a chemical compound with molecular formula C17H21F3N2O6S and molecular weight 438.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
Also Known As: AS-871/15601097, ethyl 4-hydroxy-2-thioxo-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)hexahydro-5-pyrimidinecarboxylate, ethyl 4-hydroxy-2-thioxo-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)hexahydropyrimidine-5-carboxylate, ethyl 4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate
| Molecular Formula | C17H21F3N2O6S |
|---|---|
| Molecular Weight | 438.11 g/mol |
| LogP | 1.6614 |
| Topological Polar Surface Area | 98.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.10724 |
| Heavy Atoms | 29 |
| Complexity | 765.9171 |
Chemical Identifiers
| CAS Number | 376359-94-3 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC(=C(C(=C2)OC)OC)OC |
Product Overview
AS-871/15601097 (CAS 376359-94-3), with molecular formula C17H21F3N2O6S and molecular weight 438.11 g/mol. IUPAC: ethyl 4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-6-(3,4,5-trimethoxyphenyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AS-871/15601097
Property Insights of AS-871/15601097
The XLogP value of 1.6614 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/15601097. The TPSA of 98.28 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/15601097. Following Lipinski's Rule of Five, AS-871/15601097 has 3 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 AS-871/15601097?
The CAS number of AS-871/15601097 is 376359-94-3.
What is the molecular formula of AS-871/15601097?
The molecular formula of AS-871/15601097 is C17H21F3N2O6S.
What is the molecular weight of AS-871/15601097?
The molecular weight of AS-871/15601097 is 438.11 g/mol.
Where can I buy AS-871/15601097?
You can request a quote for AS-871/15601097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/15601097?
Yes, KEHONG BIO provides custom synthesis services for AS-871/15601097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.