AS-871/15601100
TL;DR: AS-871/15601100 (CAS 376360-04-2) is a chemical compound with molecular formula C15H15F3N2O5S and molecular weight 392.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate
Also Known As: AS-871/15601100, ethyl 6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate, ethyl 6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate, ethyl 6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydro-5-pyrimidinecarboxylate, ethyl 6-(benzo[d][1,3]dioxol-5-yl)-4-hydroxy-2-thioxo-4-(trifluoromethyl)hexahydropyrimidine-5-carboxylate
| Molecular Formula | C15H15F3N2O5S |
|---|---|
| Molecular Weight | 392.07 g/mol |
| LogP | 1.3643 |
| Topological Polar Surface Area | 89.05 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.06537 |
| Heavy Atoms | 26 |
| Complexity | 744.4823 |
Chemical Identifiers
| CAS Number | 376360-04-2 |
|---|---|
| SMILES | CCOC(=O)C1C(NC(=S)NC1(C(F)(F)F)O)C2=CC3=C(C=C2)OCO3 |
Product Overview
AS-871/15601100 (CAS 376360-04-2), with molecular formula C15H15F3N2O5S and molecular weight 392.07 g/mol. IUPAC: ethyl 6-(1,3-benzodioxol-5-yl)-4-hydroxy-2-sulfanylidene-4-(trifluoromethyl)-1,3-diazinane-5-carboxylate.
Chemical Property Profile of AS-871/15601100
Property Insights of AS-871/15601100
The XLogP value of 1.3643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AS-871/15601100. The TPSA of 89.05 Ų falls within the moderate polarity range, balancing permeability and solubility for AS-871/15601100. Following Lipinski's Rule of Five, AS-871/15601100 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-871/15601100?
The CAS number of AS-871/15601100 is 376360-04-2.
What is the molecular formula of AS-871/15601100?
The molecular formula of AS-871/15601100 is C15H15F3N2O5S.
What is the molecular weight of AS-871/15601100?
The molecular weight of AS-871/15601100 is 392.07 g/mol.
Where can I buy AS-871/15601100?
You can request a quote for AS-871/15601100 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AS-871/15601100?
Yes, KEHONG BIO provides custom synthesis services for AS-871/15601100 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.