ChemDiv1_028517
TL;DR: ChemDiv1_028517 (CAS 383894-75-5) is a chemical compound with molecular formula C22H19Cl2N3O2S and molecular weight 459.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-cyano-4-(2,4-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
Also Known As: ChemDiv1_028517, 2-{[3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2,3-dimethylphenyl)acetamide, 2-((3-cyano-4-(2,4-dichlorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(2,3-dimethylphenyl)acetamide, 2-[[5-cyano-4-(2,4-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide
| Molecular Formula | C22H19Cl2N3O2S |
|---|---|
| Molecular Weight | 459.06 g/mol |
| LogP | 5.32082 |
| Topological Polar Surface Area | 81.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.0575 |
| Heavy Atoms | 30 |
| Complexity | 1092.2756 |
Chemical Identifiers
| CAS Number | 383894-75-5 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC(=O)CSC2=C(C(CC(=O)N2)C3=C(C=C(C=C3)Cl)Cl)C#N)C |
Product Overview
ChemDiv1_028517 (CAS 383894-75-5), with molecular formula C22H19Cl2N3O2S and molecular weight 459.06 g/mol. IUPAC: 2-[[5-cyano-4-(2,4-dichlorophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(2,3-dimethylphenyl)acetamide.
Chemical Property Profile of ChemDiv1_028517
Property Insights of ChemDiv1_028517
The XLogP value of 5.32082 indicates that ChemDiv1_028517 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.99 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028517. Following Lipinski's Rule of Five, ChemDiv1_028517 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028517?
The CAS number of ChemDiv1_028517 is 383894-75-5.
What is the molecular formula of ChemDiv1_028517?
The molecular formula of ChemDiv1_028517 is C22H19Cl2N3O2S.
What is the molecular weight of ChemDiv1_028517?
The molecular weight of ChemDiv1_028517 is 459.06 g/mol.
Where can I buy ChemDiv1_028517?
You can request a quote for ChemDiv1_028517 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028517?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028517 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.