2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
TL;DR: 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CAS 799801-17-5) is a chemical compound with molecular formula C25H22ClN5O5S and molecular weight 539.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Also Known As: 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide, 2-[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl-N-(4-chloro-2,5-dimethoxyphenyl)acetamide, 2-{[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl]sulfanyl}-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
| Molecular Formula | C25H22ClN5O5S |
|---|---|
| Molecular Weight | 539.10 g/mol |
| LogP | 4.49276 |
| Topological Polar Surface Area | 152.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.103 |
| Heavy Atoms | 37 |
| Complexity | 1434.6808 |
Chemical Identifiers
| CAS Number | 799801-17-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC(=C(C=C3OC)Cl)OC)N)C#N)OC |
Product Overview
2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CAS 799801-17-5), with molecular formula C25H22ClN5O5S and molecular weight 539.10 g/mol. IUPAC: 2-[[6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)-2-pyridinyl]sulfanyl]-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
Chemical Property Profile of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
Property Insights of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
The XLogP value of 4.49276 indicates that 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.51 Ų indicates high polarity, suggesting 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The CAS number of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is 799801-17-5.
What is the molecular formula of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The molecular formula of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is C25H22ClN5O5S.
What is the molecular weight of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The molecular weight of 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is 539.10 g/mol.
Where can I buy 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
You can request a quote for 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-amino-3,5-dicyano-4-(3,4-dimethoxyphenyl)pyridin-2-yl)thio)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.