3L-633S
TL;DR: 3L-633S (CAS 478031-68-4) is a chemical compound with molecular formula C20H14Cl2N2OS and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
Also Known As: 3L-633S, 1-(3,4-dichlorobenzyl)-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile, 1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile, 1-[(3,4-dichlorophenyl)methyl]-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile, 1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenyl-pyridine-3-carbonitrile
| Molecular Formula | C20H14Cl2N2OS |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 5.46398 |
| Topological Polar Surface Area | 45.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.0204 |
| Heavy Atoms | 26 |
| Complexity | 1055.8868 |
Chemical Identifiers
| CAS Number | 478031-68-4 |
|---|---|
| SMILES | CSC1=C(C(=O)N(C(=C1)C2=CC=CC=C2)CC3=CC(=C(C=C3)Cl)Cl)C#N |
Product Overview
3L-633S (CAS 478031-68-4), with molecular formula C20H14Cl2N2OS and molecular weight 400.02 g/mol. IUPAC: 1-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile.
Chemical Property Profile of 3L-633S
Property Insights of 3L-633S
The XLogP value of 5.46398 indicates that 3L-633S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.79 Ų, 3L-633S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3L-633S 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 3L-633S?
The CAS number of 3L-633S is 478031-68-4.
What is the molecular formula of 3L-633S?
The molecular formula of 3L-633S is C20H14Cl2N2OS.
What is the molecular weight of 3L-633S?
The molecular weight of 3L-633S is 400.02 g/mol.
Where can I buy 3L-633S?
You can request a quote for 3L-633S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3L-633S?
Yes, KEHONG BIO provides custom synthesis services for 3L-633S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.