ChemDiv1_005822
TL;DR: ChemDiv1_005822 (CAS 337500-72-8) is a chemical compound with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_005822, BAS 01369708, BIM-0043740.P001, 2-amino-6-{[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl}-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile, A2479/0105315
| Molecular Formula | C22H16N4O4S |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 3.46896 |
| Topological Polar Surface Area | 153.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 432.08923 |
| Heavy Atoms | 31 |
| Complexity | 1244.3364 |
Chemical Identifiers
| CAS Number | 337500-72-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC(=C(C=C3)O)O)N)C#N |
Product Overview
ChemDiv1_005822 (CAS 337500-72-8), with molecular formula C22H16N4O4S and molecular weight 432.09 g/mol. IUPAC: 2-amino-6-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv1_005822
Property Insights of ChemDiv1_005822
The XLogP value of 3.46896 indicates that ChemDiv1_005822 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.25 Ų indicates high polarity, suggesting ChemDiv1_005822 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_005822 has 3 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_005822?
The CAS number of ChemDiv1_005822 is 337500-72-8.
What is the molecular formula of ChemDiv1_005822?
The molecular formula of ChemDiv1_005822 is C22H16N4O4S.
What is the molecular weight of ChemDiv1_005822?
The molecular weight of ChemDiv1_005822 is 432.09 g/mol.
Where can I buy ChemDiv1_005822?
You can request a quote for ChemDiv1_005822 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005822?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005822 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.