ChemDiv1_004871
TL;DR: ChemDiv1_004871 (CAS 361477-93-2) is a chemical compound with molecular formula C23H17N5O4S and molecular weight 459.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-ethoxyphenyl)-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_004871, F0422-0083, 2-amino-4-(4-ethoxyphenyl)-6-((2-(4-nitrophenyl)-2-oxoethyl)thio)pyridine-3,5-dicarbonitrile, 2-amino-4-(4-ethoxyphenyl)-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile, 2-amino-4-(4-ethoxyphenyl)-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile
| Molecular Formula | C23H17N5O4S |
|---|---|
| Molecular Weight | 459.10 g/mol |
| LogP | 4.35606 |
| Topological Polar Surface Area | 155.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.10013 |
| Heavy Atoms | 33 |
| Complexity | 1292.9027 |
Chemical Identifiers
| CAS Number | 361477-93-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N)C#N |
Product Overview
ChemDiv1_004871 (CAS 361477-93-2), with molecular formula C23H17N5O4S and molecular weight 459.10 g/mol. IUPAC: 2-amino-4-(4-ethoxyphenyl)-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv1_004871
Property Insights of ChemDiv1_004871
The XLogP value of 4.35606 indicates that ChemDiv1_004871 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.93 Ų indicates high polarity, suggesting ChemDiv1_004871 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_004871 has 1 hydrogen bond donor(s) and 9 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_004871?
The CAS number of ChemDiv1_004871 is 361477-93-2.
What is the molecular formula of ChemDiv1_004871?
The molecular formula of ChemDiv1_004871 is C23H17N5O4S.
What is the molecular weight of ChemDiv1_004871?
The molecular weight of ChemDiv1_004871 is 459.10 g/mol.
Where can I buy ChemDiv1_004871?
You can request a quote for ChemDiv1_004871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_004871?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_004871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.