4L-578S
TL;DR: 4L-578S (CAS 478042-95-4) is a chemical compound with molecular formula C20H13Cl3N2OS and molecular weight 433.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxopyridine-3-carbonitrile
Also Known As: 4L-578S, 6-(4-chlorophenyl)-1-(3,4-dichlorobenzyl)-4-(methylsulfanyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile, 6-(4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxopyridine-3-carbonitrile, 6-(4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-4-(methylsulfanyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile, 6-(4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxo-pyridine-3-carbonitrile
| Molecular Formula | C20H13Cl3N2OS |
|---|---|
| Molecular Weight | 433.98 g/mol |
| LogP | 6.11738 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.9814 |
| Heavy Atoms | 27 |
| Complexity | 1101.9353 |
Chemical Identifiers
| CAS Number | 478042-95-4 |
|---|---|
| SMILES | CSC1=C(C(=O)N(C(=C1)C2=CC=C(C=C2)Cl)CC3=CC(=C(C=C3)Cl)Cl)C#N |
Product Overview
4L-578S (CAS 478042-95-4), with molecular formula C20H13Cl3N2OS and molecular weight 433.98 g/mol. IUPAC: 6-(4-chlorophenyl)-1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxopyridine-3-carbonitrile.
Chemical Property Profile of 4L-578S
Property Insights of 4L-578S
The XLogP value of 6.11738 indicates that 4L-578S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 4L-578S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4L-578S has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4L-578S?
The CAS number of 4L-578S is 478042-95-4.
What is the molecular formula of 4L-578S?
The molecular formula of 4L-578S is C20H13Cl3N2OS.
What is the molecular weight of 4L-578S?
The molecular weight of 4L-578S is 433.98 g/mol.
Where can I buy 4L-578S?
You can request a quote for 4L-578S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4L-578S?
Yes, KEHONG BIO provides custom synthesis services for 4L-578S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.