AE-848/11828112
TL;DR: AE-848/11828112 (CAS 330557-81-8) is a chemical compound with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: AE-848/11828112, 2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, 2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetamide, 2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
| Molecular Formula | C15H15N3O4S |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 0.95798 |
| Topological Polar Surface Area | 125.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.07834 |
| Heavy Atoms | 23 |
| Complexity | 723.9224 |
Chemical Identifiers
| CAS Number | 330557-81-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)N)O |
Product Overview
AE-848/11828112 (CAS 330557-81-8), with molecular formula C15H15N3O4S and molecular weight 333.08 g/mol. IUPAC: 2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of AE-848/11828112
Property Insights of AE-848/11828112
The XLogP value of 0.95798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AE-848/11828112. The TPSA of 125.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AE-848/11828112. Following Lipinski's Rule of Five, AE-848/11828112 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 AE-848/11828112?
The CAS number of AE-848/11828112 is 330557-81-8.
What is the molecular formula of AE-848/11828112?
The molecular formula of AE-848/11828112 is C15H15N3O4S.
What is the molecular weight of AE-848/11828112?
The molecular weight of AE-848/11828112 is 333.08 g/mol.
Where can I buy AE-848/11828112?
You can request a quote for AE-848/11828112 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AE-848/11828112?
Yes, KEHONG BIO provides custom synthesis services for AE-848/11828112 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.