ChemDiv1_004684
TL;DR: ChemDiv1_004684 (CAS 361166-84-9) is a chemical compound with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[[3,5-dicyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate
Also Known As: ChemDiv1_004684, BAS 02876466, benzyl {[3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl]sulfanyl}acetate, F0423-0092, benzyl 2-((3,5-dicyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate
| Molecular Formula | C24H21N3O4S |
|---|---|
| Molecular Weight | 447.13 g/mol |
| LogP | 3.65026 |
| Topological Polar Surface Area | 112.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.12527 |
| Heavy Atoms | 32 |
| Complexity | 1102.2177 |
Chemical Identifiers
| CAS Number | 361166-84-9 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C#N |
Product Overview
ChemDiv1_004684 (CAS 361166-84-9), with molecular formula C24H21N3O4S and molecular weight 447.13 g/mol. IUPAC: benzyl 2-[[3,5-dicyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate.
Chemical Property Profile of ChemDiv1_004684
Property Insights of ChemDiv1_004684
The XLogP value of 3.65026 indicates that ChemDiv1_004684 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.21 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_004684. Following Lipinski's Rule of Five, ChemDiv1_004684 has 1 hydrogen bond donor(s) and 7 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_004684?
The CAS number of ChemDiv1_004684 is 361166-84-9.
What is the molecular formula of ChemDiv1_004684?
The molecular formula of ChemDiv1_004684 is C24H21N3O4S.
What is the molecular weight of ChemDiv1_004684?
The molecular weight of ChemDiv1_004684 is 447.13 g/mol.
Where can I buy ChemDiv1_004684?
You can request a quote for ChemDiv1_004684 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004684?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004684 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.