11E-390S
TL;DR: 11E-390S (CAS 477853-26-2) is a chemical compound with molecular formula C24H20Cl2N4OS and molecular weight 482.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one
Also Known As: 11E-390S, 3-[4-allyl-5-(benzylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-(3,4-dichlorobenzyl)-2(1H)-pyridinone, 3-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one, 3-[5-(benzylsulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-1-[(3,4-dichlorophenyl)methyl]-1,2-dihydropyridin-2-one
| Molecular Formula | C24H20Cl2N4OS |
|---|---|
| Molecular Weight | 482.07 g/mol |
| LogP | 5.9402 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.0735 |
| Heavy Atoms | 32 |
| Complexity | 1301.1046 |
Chemical Identifiers
| CAS Number | 477853-26-2 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC=CC=C2)C3=CC=CN(C3=O)CC4=CC(=C(C=C4)Cl)Cl |
Product Overview
11E-390S (CAS 477853-26-2), with molecular formula C24H20Cl2N4OS and molecular weight 482.07 g/mol. IUPAC: 3-(5-benzylsulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl)-1-[(3,4-dichlorophenyl)methyl]pyridin-2-one.
Chemical Property Profile of 11E-390S
Property Insights of 11E-390S
The XLogP value of 5.9402 indicates that 11E-390S 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-390S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11E-390S 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-390S?
The CAS number of 11E-390S is 477853-26-2.
What is the molecular formula of 11E-390S?
The molecular formula of 11E-390S is C24H20Cl2N4OS.
What is the molecular weight of 11E-390S?
The molecular weight of 11E-390S is 482.07 g/mol.
Where can I buy 11E-390S?
You can request a quote for 11E-390S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-390S?
Yes, KEHONG BIO provides custom synthesis services for 11E-390S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.