IFLab1_002025
TL;DR: IFLab1_002025 (CAS 309280-00-0) is a chemical compound with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: IFLab1_002025, benzyl 2-{[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate, F0422-0293, A2089/0087835, benzyl {[3-cyano-4-(3-methylthiophen-2-yl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
| Molecular Formula | C20H18N2O3S2 |
|---|---|
| Molecular Weight | 398.08 g/mol |
| LogP | 3.8718 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 398.0759 |
| Heavy Atoms | 27 |
| Complexity | 912.8081 |
Chemical Identifiers
| CAS Number | 309280-00-0 |
|---|---|
| SMILES | CC1=C(SC=C1)C2CC(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3 |
Product Overview
IFLab1_002025 (CAS 309280-00-0), with molecular formula C20H18N2O3S2 and molecular weight 398.08 g/mol. IUPAC: benzyl 2-[[5-cyano-4-(3-methylthiophen-2-yl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of IFLab1_002025
Property Insights of IFLab1_002025
The XLogP value of 3.8718 indicates that IFLab1_002025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_002025. Following Lipinski's Rule of Five, IFLab1_002025 has 1 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 IFLab1_002025?
The CAS number of IFLab1_002025 is 309280-00-0.
What is the molecular formula of IFLab1_002025?
The molecular formula of IFLab1_002025 is C20H18N2O3S2.
What is the molecular weight of IFLab1_002025?
The molecular weight of IFLab1_002025 is 398.08 g/mol.
Where can I buy IFLab1_002025?
You can request a quote for IFLab1_002025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_002025?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_002025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.