(E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
TL;DR: (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 844826-16-0) is a chemical compound with molecular formula C24H21N5O3S2 and molecular weight 491.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-benzylpiperazin-1-yl)-2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
Also Known As: (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile, 5-(4-benzylpiperazin-1-yl)-2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile
| Molecular Formula | C24H21N5O3S2 |
|---|---|
| Molecular Weight | 491.11 g/mol |
| LogP | 3.86288 |
| Topological Polar Surface Area | 89.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 491.10858 |
| Heavy Atoms | 34 |
| Complexity | 1255.5215 |
Chemical Identifiers
| CAS Number | 844826-16-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=C(N=C(O3)/C=C/4\C(=O)N(C(=S)S4)CC5=CC=CO5)C#N |
Product Overview
(E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 844826-16-0), with molecular formula C24H21N5O3S2 and molecular weight 491.11 g/mol. IUPAC: 5-(4-benzylpiperazin-1-yl)-2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
Property Insights of (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
The XLogP value of 3.86288 indicates that (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.75 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile. Following Lipinski's Rule of Five, (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 9 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 (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The CAS number of (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 844826-16-0.
What is the molecular formula of (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular formula of (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is C24H21N5O3S2.
What is the molecular weight of (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular weight of (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 491.11 g/mol.
Where can I buy (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
You can request a quote for (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-benzylpiperazin-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.