RefChem:314373
TL;DR: RefChem:314373 (CAS 117491-13-1) is a chemical compound with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-acetyl-3-cyano-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide;hydrochloride
Also Known As: Acetamide, 2-((5'-acetyl-3'-cyano-1',4'-dihydro-6'-methyl(3,4'-bipyridin)-2'-yl)thio)-, monohydrochloride, [(5'-Acetyl-3'-cyano-6'-methyl-1',4'-dihydro[3,4'-bipyridin]-2'-yl)sulfanyl]ethanimidic acid--hydrogen chloride (1/1), 2-[(5'-Acetyl-3'-cyano-6'-methyl-1',4'-dihydro[3,4'-bipyridin]-2'-yl)sulfanyl]ethanimidic acid--hydrogen chloride (1/1), 2-[(5-acetyl-3-cyano-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide hydrochloride
| Molecular Formula | C16H17ClN4O2S |
|---|---|
| Molecular Weight | 364.08 g/mol |
| LogP | 2.00688 |
| Topological Polar Surface Area | 108.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.07608 |
| Heavy Atoms | 24 |
| Complexity | 753.09094 |
Chemical Identifiers
| CAS Number | 117491-13-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CN=CC=C2)C(=O)C.Cl |
Product Overview
RefChem:314373 (CAS 117491-13-1), with molecular formula C16H17ClN4O2S and molecular weight 364.08 g/mol. IUPAC: 2-[(5-acetyl-3-cyano-6-methyl-4-pyridin-3-yl-1,4-dihydropyridin-2-yl)sulfanyl]acetamide;hydrochloride.
Chemical Property Profile of RefChem:314373
Property Insights of RefChem:314373
The XLogP value of 2.00688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:314373. The TPSA of 108.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:314373. Following Lipinski's Rule of Five, RefChem:314373 has 2 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 RefChem:314373?
The CAS number of RefChem:314373 is 117491-13-1.
What is the molecular formula of RefChem:314373?
The molecular formula of RefChem:314373 is C16H17ClN4O2S.
What is the molecular weight of RefChem:314373?
The molecular weight of RefChem:314373 is 364.08 g/mol.
Where can I buy RefChem:314373?
You can request a quote for RefChem:314373 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:314373?
Yes, KEHONG BIO provides custom synthesis services for RefChem:314373 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.