11E-378S
TL;DR: 11E-378S (CAS 400075-04-9) is a chemical compound with molecular formula C24H19Cl3N4OS and molecular weight 516.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4-chlorophenyl)methyl]-3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridin-2-one
Also Known As: 11E-378S, 1-[(4-chlorophenyl)methyl]-3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridin-2-one, 3-{4-allyl-5-[(3,4-dichlorobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-1-(4-chlorobenzyl)-2(1H)-pyridinone, 1-[(4-chlorophenyl)methyl]-3-(5-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl)-1,2-dihydropyridin-2-one
| Molecular Formula | C24H19Cl3N4OS |
|---|---|
| Molecular Weight | 516.03 g/mol |
| LogP | 6.5936 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 516.0345 |
| Heavy Atoms | 33 |
| Complexity | 1348.8242 |
Chemical Identifiers
| CAS Number | 400075-04-9 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC2=CC(=C(C=C2)Cl)Cl)C3=CC=CN(C3=O)CC4=CC=C(C=C4)Cl |
Product Overview
11E-378S (CAS 400075-04-9), with molecular formula C24H19Cl3N4OS and molecular weight 516.03 g/mol. IUPAC: 1-[(4-chlorophenyl)methyl]-3-[5-[(3,4-dichlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]pyridin-2-one.
Chemical Property Profile of 11E-378S
Property Insights of 11E-378S
The XLogP value of 6.5936 indicates that 11E-378S 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-378S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11E-378S 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-378S?
The CAS number of 11E-378S is 400075-04-9.
What is the molecular formula of 11E-378S?
The molecular formula of 11E-378S is C24H19Cl3N4OS.
What is the molecular weight of 11E-378S?
The molecular weight of 11E-378S is 516.03 g/mol.
Where can I buy 11E-378S?
You can request a quote for 11E-378S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-378S?
Yes, KEHONG BIO provides custom synthesis services for 11E-378S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.