F1461-0581
TL;DR: F1461-0581 (CAS 684238-07-1) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: F1461-0581, N-benzyl-2-((3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, N-benzyl-2-{[3-cyano-4-(2-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, N-benzyl-2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide, N-benzyl[3-cyano-6-oxo-4-(o-tolyl)-1,4,5,6-tetrahydro-2-pyridylthio]acetamide
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 3.3833 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 947.7543 |
Chemical Identifiers
| CAS Number | 684238-07-1 |
|---|---|
| SMILES | CC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3 |
Product Overview
F1461-0581 (CAS 684238-07-1), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: N-benzyl-2-[[5-cyano-4-(2-methylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of F1461-0581
Property Insights of F1461-0581
The XLogP value of 3.3833 indicates that F1461-0581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for F1461-0581. Following Lipinski's Rule of Five, F1461-0581 has 2 hydrogen bond donor(s) and 4 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 F1461-0581?
The CAS number of F1461-0581 is 684238-07-1.
What is the molecular formula of F1461-0581?
The molecular formula of F1461-0581 is C22H21N3O2S.
What is the molecular weight of F1461-0581?
The molecular weight of F1461-0581 is 391.14 g/mol.
Where can I buy F1461-0581?
You can request a quote for F1461-0581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1461-0581?
Yes, KEHONG BIO provides custom synthesis services for F1461-0581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.