ChemDiv3_000539
TL;DR: ChemDiv3_000539 (CAS 212843-68-0) is a chemical compound with molecular formula C18H14Cl2N4OS and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-6-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-propan-2-ylpyridine-3,5-dicarbonitrile
Also Known As: ChemDiv3_000539, AB00075378-01, 2-amino-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-4-(propan-2-yl)pyridine-3,5-dicarbonitrile, 2-amino-6-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4-isopropylpyridine-3,5-dicarbonitrile, 2-amino-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]thio}-4-isopropyl-3,5-pyridinedicarbonitrile
| Molecular Formula | C18H14Cl2N4OS |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 4.81236 |
| Topological Polar Surface Area | 103.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.02655 |
| Heavy Atoms | 26 |
| Complexity | 961.1293 |
Chemical Identifiers
| CAS Number | 212843-68-0 |
|---|---|
| SMILES | CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)C2=CC(=C(C=C2)Cl)Cl)N)C#N |
Product Overview
ChemDiv3_000539 (CAS 212843-68-0), with molecular formula C18H14Cl2N4OS and molecular weight 404.03 g/mol. IUPAC: 2-amino-6-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-propan-2-ylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv3_000539
Property Insights of ChemDiv3_000539
The XLogP value of 4.81236 indicates that ChemDiv3_000539 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.56 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000539. Following Lipinski's Rule of Five, ChemDiv3_000539 has 1 hydrogen bond donor(s) and 6 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 ChemDiv3_000539?
The CAS number of ChemDiv3_000539 is 212843-68-0.
What is the molecular formula of ChemDiv3_000539?
The molecular formula of ChemDiv3_000539 is C18H14Cl2N4OS.
What is the molecular weight of ChemDiv3_000539?
The molecular weight of ChemDiv3_000539 is 404.03 g/mol.
Where can I buy ChemDiv3_000539?
You can request a quote for ChemDiv3_000539 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000539?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000539 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.