11E-381S
TL;DR: 11E-381S (CAS 477853-23-9) is a chemical compound with molecular formula C19H18Cl2N4OS and molecular weight 420.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dichlorophenyl)methyl]-3-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one
Also Known As: 11E-381S, 3-[5-(allylsulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]-1-(2,4-dichlorobenzyl)-2(1H)-pyridinone, 1-[(2,4-dichlorophenyl)methyl]-3-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one, 1-[(2,4-dichlorophenyl)methyl]-3-[4-ethyl-5-(prop-2-en-1-ylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,2-dihydropyridin-2-one
| Molecular Formula | C19H18Cl2N4OS |
|---|---|
| Molecular Weight | 420.06 g/mol |
| LogP | 4.7599 |
| Topological Polar Surface Area | 52.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.05783 |
| Heavy Atoms | 27 |
| Complexity | 1028.7894 |
Chemical Identifiers
| CAS Number | 477853-23-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC=C)C2=CC=CN(C2=O)CC3=C(C=C(C=C3)Cl)Cl |
Product Overview
11E-381S (CAS 477853-23-9), with molecular formula C19H18Cl2N4OS and molecular weight 420.06 g/mol. IUPAC: 1-[(2,4-dichlorophenyl)methyl]-3-(4-ethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)pyridin-2-one.
Chemical Property Profile of 11E-381S
Property Insights of 11E-381S
The XLogP value of 4.7599 indicates that 11E-381S 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-381S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11E-381S has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 11E-381S?
The CAS number of 11E-381S is 477853-23-9.
What is the molecular formula of 11E-381S?
The molecular formula of 11E-381S is C19H18Cl2N4OS.
What is the molecular weight of 11E-381S?
The molecular weight of 11E-381S is 420.06 g/mol.
Where can I buy 11E-381S?
You can request a quote for 11E-381S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11E-381S?
Yes, KEHONG BIO provides custom synthesis services for 11E-381S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.