11E-342S
TL;DR: 11E-342S (CAS 477853-08-0) is a chemical compound with molecular formula C24H18Cl4N4OS and molecular weight 550.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridin-2-one
Also Known As: 11E-342S, 3-{4-allyl-5-[(2,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-(2,4-dichlorobenzyl)-2(1H)-pyridinone, 1-[(2,4-dichlorophenyl)methyl]-3-(5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one, 1-[(2,4-dichlorophenyl)methyl]-3-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridin-2-one
| Molecular Formula | C24H18Cl4N4OS |
|---|---|
| Molecular Weight | 550.00 g/mol |
| LogP | 7.247 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 549.99554 |
| Heavy Atoms | 34 |
| Complexity | 1416.5961 |
Chemical Identifiers
| CAS Number | 477853-08-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=C(C=C(C=C2)Cl)Cl)C3=CC=CN(C3=O)CC4=C(C=C(C=C4)Cl)Cl |
Product Overview
11E-342S (CAS 477853-08-0), with molecular formula C24H18Cl4N4OS and molecular weight 550.00 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridin-2-one.
Chemical Property Profile of 11E-342S
Property Insights of 11E-342S
The XLogP value of 7.247 indicates that 11E-342S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.71 Ų, 11E-342S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11E-342S has 0 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 11E-342S?
The CAS number of 11E-342S is 477853-08-0.
What is the molecular formula of 11E-342S?
The molecular formula of 11E-342S is C24H18Cl4N4OS.
What is the molecular weight of 11E-342S?
The molecular weight of 11E-342S is 550.00 g/mol.
Where can I buy 11E-342S?
You can request a quote for 11E-342S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-342S?
Yes, KEHONG BIO provides custom synthesis services for 11E-342S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.