ChemDiv1_000026
TL;DR: ChemDiv1_000026 (CAS 184530-25-4) is a chemical compound with molecular formula C17H12Cl2N4OS and molecular weight 390.01 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-ethylpyridine-3,5-dicarbonitrile
Also Known As: ChemDiv1_000026, BAS 01279659, BIM-0014025.P001, 2-Amino-6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]thio}-4-ethyl-3,5-pyridinedicarbonitrile, 2-amino-6-((2-(3,4-dichlorophenyl)-2-oxoethyl)thio)-4-ethylpyridine-3,5-dicarbonitrile
| Molecular Formula | C17H12Cl2N4OS |
|---|---|
| Molecular Weight | 390.01 g/mol |
| LogP | 4.25136 |
| Topological Polar Surface Area | 103.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.0109 |
| Heavy Atoms | 25 |
| Complexity | 931.71094 |
Chemical Identifiers
| CAS Number | 184530-25-4 |
|---|---|
| SMILES | CCC1=C(C(=NC(=C1C#N)SCC(=O)C2=CC(=C(C=C2)Cl)Cl)N)C#N |
Product Overview
ChemDiv1_000026 (CAS 184530-25-4), with molecular formula C17H12Cl2N4OS and molecular weight 390.01 g/mol. IUPAC: 2-amino-6-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl-4-ethylpyridine-3,5-dicarbonitrile.
Chemical Property Profile of ChemDiv1_000026
Property Insights of ChemDiv1_000026
The XLogP value of 4.25136 indicates that ChemDiv1_000026 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 ChemDiv1_000026. Following Lipinski's Rule of Five, ChemDiv1_000026 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 ChemDiv1_000026?
The CAS number of ChemDiv1_000026 is 184530-25-4.
What is the molecular formula of ChemDiv1_000026?
The molecular formula of ChemDiv1_000026 is C17H12Cl2N4OS.
What is the molecular weight of ChemDiv1_000026?
The molecular weight of ChemDiv1_000026 is 390.01 g/mol.
Where can I buy ChemDiv1_000026?
You can request a quote for ChemDiv1_000026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_000026?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_000026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.