![(E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile structure](/static/products/524/524031-78-5.png)
(E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile
TL;DR: (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile (CAS 524031-78-5) is a chemical compound with molecular formula C23H13ClN2O5S and molecular weight 464.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[(E)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile
Also Known As: (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile, 4-[5-[(E)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile, 4-{5-[(E)-{3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzonitrile
| Molecular Formula | C23H13ClN2O5S |
|---|---|
| Molecular Weight | 464.02 g/mol |
| LogP | 5.43688 |
| Topological Polar Surface Area | 92.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 464.02338 |
| Heavy Atoms | 32 |
| Complexity | 1323.145 |
Chemical Identifiers
| CAS Number | 524031-78-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CN3C(=O)/C(=C\C4=CC=C(O4)C5=CC=C(C=C5)C#N)/SC3=O)Cl |
Product Overview
(E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile (CAS 524031-78-5), with molecular formula C23H13ClN2O5S and molecular weight 464.02 g/mol. IUPAC: 4-[5-[(E)-[3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzonitrile.
Chemical Property Profile of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile
Property Insights of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile
The XLogP value of 5.43688 indicates that (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile. Following Lipinski's Rule of Five, (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile?
The CAS number of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile is 524031-78-5.
What is the molecular formula of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile?
The molecular formula of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile is C23H13ClN2O5S.
What is the molecular weight of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile?
The molecular weight of (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile is 464.02 g/mol.
Where can I buy (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile?
You can request a quote for (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(5-((3-((6-chlorobenzo[d][1,3]dioxol-5-yl)methyl)-2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.