IFLab1_001047
TL;DR: IFLab1_001047 (CAS 330181-08-3) is a chemical compound with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: IFLab1_001047, BAS 01235452, 2-((3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide, 2-{[3-cyano-4-(2-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide, AB00684121-01
| Molecular Formula | C15H15N3O3S |
|---|---|
| Molecular Weight | 317.08 g/mol |
| LogP | 1.25238 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.0834 |
| Heavy Atoms | 22 |
| Complexity | 678.8554 |
Chemical Identifiers
| CAS Number | 330181-08-3 |
|---|---|
| SMILES | COC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)N |
Product Overview
IFLab1_001047 (CAS 330181-08-3), with molecular formula C15H15N3O3S and molecular weight 317.08 g/mol. IUPAC: 2-[[5-cyano-4-(2-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
Chemical Property Profile of IFLab1_001047
Property Insights of IFLab1_001047
The XLogP value of 1.25238 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IFLab1_001047. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_001047. Following Lipinski's Rule of Five, IFLab1_001047 has 2 hydrogen bond donor(s) and 5 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 IFLab1_001047?
The CAS number of IFLab1_001047 is 330181-08-3.
What is the molecular formula of IFLab1_001047?
The molecular formula of IFLab1_001047 is C15H15N3O3S.
What is the molecular weight of IFLab1_001047?
The molecular weight of IFLab1_001047 is 317.08 g/mol.
Where can I buy IFLab1_001047?
You can request a quote for IFLab1_001047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_001047?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_001047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.