RefChem:314372
TL;DR: RefChem:314372 (CAS 117491-09-5) is a chemical compound with molecular formula C16H18N4O3S and molecular weight 346.10995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-acetyl-5-cyano-2-hydroxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetamide
Also Known As: Acetamide, 2-((5'-acetyl-3'-cyano-1',4',5',6'-tetrahydro-6'-hydroxy-6'-methyl-(3,4'-bipyridin)-2'-yl)thio)-, [(5'-Acetyl-3'-cyano-6'-hydroxy-6'-methyl-1',4',5',6'-tetrahydro[3,4'-bipyridin]-2'-yl)sulfanyl]ethanimidic acid, 2-[(3-acetyl-5-cyano-2-hydroxy-2-methyl-4-pyridin-3-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]acetamide, 2-[(5'-Acetyl-3'-cyano-6'-hydroxy-6'-methyl-1',4',5',6'-tetrahydro[3,4'-bipyridin]-2'-yl)sulfanyl]ethanimidic acid, BRN 5613531
Technical Specifications
| Molecular Formula | C16H18N4O3S |
| Molecular Weight | 346.10995 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.10995 Da |
| Heavy Atoms | 24 |
| Complexity | 612.0 |
| SMILES | CC(=O)C1C(C(=C(NC1(C)O)SCC(=O)N)C#N)C2=CN=CC=C2 |
| InChIKey | LOHPJONPZHJLQD-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:314372
Property Insights of RefChem:314372
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314372. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:314372 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:314372 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
What is the CAS number of RefChem:314372?
The CAS number of RefChem:314372 is 117491-09-5.
What is the molecular formula of RefChem:314372?
The molecular formula of RefChem:314372 is C16H18N4O3S.
What is the molecular weight of RefChem:314372?
The molecular weight of RefChem:314372 is 346.10995 g/mol.
Where can I buy RefChem:314372?
You can request a quote for RefChem:314372 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:314372?
Yes, CoreyChem provides custom synthesis services for RefChem:314372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.