![(3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one structure](/static/products/339/339022-11-6.png)
(3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one
TL;DR: (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one (CAS 339022-11-6) is a chemical compound with molecular formula C18H12Cl2N4O2S and molecular weight 418.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[3-[(2,6-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]iminomethyl]-2-benzofuran-1-ol
Also Known As: (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one, 3-[({3-[(2,6-dichlorobenzyl)sulfanyl]-1H-1,2,4-triazol-5-yl}amino)methylene]-2-benzofuran-1(3H)-one, 3-{[(5-{[(2,6-dichlorophenyl)methyl]sulfanyl}-2H-1,2,4-triazol-3-yl)amino]methylidene}-2-benzofuran-1-one
| Molecular Formula | C18H12Cl2N4O2S |
|---|---|
| Molecular Weight | 418.01 g/mol |
| LogP | 5.6062 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0058 |
| Heavy Atoms | 27 |
| Complexity | 1119.3068 |
Chemical Identifiers
| CAS Number | 339022-11-6 |
|---|---|
| SMILES | C1=CC2=C(OC(=C2C=C1)O)C=NC3=NC(=NN3)SCC4=C(C=CC=C4Cl)Cl |
Product Overview
(3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one (CAS 339022-11-6), with molecular formula C18H12Cl2N4O2S and molecular weight 418.01 g/mol. IUPAC: 3-[[3-[(2,6-dichlorophenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]iminomethyl]-2-benzofuran-1-ol.
Chemical Property Profile of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one
Property Insights of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one
The XLogP value of 5.6062 indicates that (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one. Following Lipinski's Rule of Five, (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one?
The CAS number of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one is 339022-11-6.
What is the molecular formula of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one?
The molecular formula of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one is C18H12Cl2N4O2S.
What is the molecular weight of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one?
The molecular weight of (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one is 418.01 g/mol.
Where can I buy (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one?
You can request a quote for (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z)-3-{[(3-{[(2,6-dichlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazol-5-yl)amino]methylidene}-1,3-dihydro-2-benzofuran-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.