ChemDiv1_009160
TL;DR: ChemDiv1_009160 (CAS 375355-90-1) is a chemical compound with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Also Known As: ChemDiv1_009160, BAS 02876750, AE-848/15115136, 2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide, 2-((3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-ethoxyphenyl)acetamide
| Molecular Formula | C20H19N3O3S2 |
|---|---|
| Molecular Weight | 413.09 g/mol |
| LogP | 3.85738 |
| Topological Polar Surface Area | 91.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.0868 |
| Heavy Atoms | 28 |
| Complexity | 915.1726 |
Chemical Identifiers
| CAS Number | 375355-90-1 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=CC=CS3)C#N |
Product Overview
ChemDiv1_009160 (CAS 375355-90-1), with molecular formula C20H19N3O3S2 and molecular weight 413.09 g/mol. IUPAC: 2-[(5-cyano-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridin-6-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_009160
Property Insights of ChemDiv1_009160
The XLogP value of 3.85738 indicates that ChemDiv1_009160 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009160. Following Lipinski's Rule of Five, ChemDiv1_009160 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 ChemDiv1_009160?
The CAS number of ChemDiv1_009160 is 375355-90-1.
What is the molecular formula of ChemDiv1_009160?
The molecular formula of ChemDiv1_009160 is C20H19N3O3S2.
What is the molecular weight of ChemDiv1_009160?
The molecular weight of ChemDiv1_009160 is 413.09 g/mol.
Where can I buy ChemDiv1_009160?
You can request a quote for ChemDiv1_009160 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009160?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009160 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.