ChemDiv1_018237
TL;DR: ChemDiv1_018237 (CAS 361980-46-3) is a chemical compound with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide
Also Known As: ChemDiv1_018237, BAS 02589777, 2-((3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-phenoxyphenyl)acetamide, 2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-phenoxyphenyl)acetamide, F0837-0107
| Molecular Formula | C28H25N3O4S |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 5.58818 |
| Topological Polar Surface Area | 100.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 499.1566 |
| Heavy Atoms | 36 |
| Complexity | 1300.375 |
Chemical Identifiers
| CAS Number | 361980-46-3 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4 |
Product Overview
ChemDiv1_018237 (CAS 361980-46-3), with molecular formula C28H25N3O4S and molecular weight 499.16 g/mol. IUPAC: 2-[[5-cyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-phenoxyphenyl)acetamide.
Chemical Property Profile of ChemDiv1_018237
Property Insights of ChemDiv1_018237
The XLogP value of 5.58818 indicates that ChemDiv1_018237 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018237. Following Lipinski's Rule of Five, ChemDiv1_018237 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_018237?
The CAS number of ChemDiv1_018237 is 361980-46-3.
What is the molecular formula of ChemDiv1_018237?
The molecular formula of ChemDiv1_018237 is C28H25N3O4S.
What is the molecular weight of ChemDiv1_018237?
The molecular weight of ChemDiv1_018237 is 499.16 g/mol.
Where can I buy ChemDiv1_018237?
You can request a quote for ChemDiv1_018237 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018237?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018237 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.