(E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
TL;DR: (E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 845649-07-2) is a chemical compound with molecular formula C19H18N4O3S2 and molecular weight 414.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(azepan-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-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile, 5-(azepan-1-yl)-2-[(E)-[3-(furan-2-ylmethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-1,3-oxazole-4-carbonitrile, 5-(azepan-1-yl)-2-{(E)-[3-(furan-2-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-1,3-oxazole-4-carbonitrile, 5-(AZEPAN-1-YL)-2-{[(5E)-3-[(FURAN-2-YL)METHYL]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-1,3-OXAZOLE-4-CARBONITRILE
| Molecular Formula | C19H18N4O3S2 |
|---|---|
| Molecular Weight | 414.08 g/mol |
| LogP | 3.92108 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.08203 |
| Heavy Atoms | 28 |
| Complexity | 950.4821 |
Chemical Identifiers
| CAS Number | 845649-07-2 |
|---|---|
| SMILES | C1CCCN(CC1)C2=C(N=C(O2)/C=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)C#N |
Product Overview
(E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile (CAS 845649-07-2), with molecular formula C19H18N4O3S2 and molecular weight 414.08 g/mol. IUPAC: 5-(azepan-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-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
Property Insights of (E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile
The XLogP value of 3.92108 indicates that (E)-5-(azepan-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 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(azepan-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-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 8 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-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The CAS number of (E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 845649-07-2.
What is the molecular formula of (E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular formula of (E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is C19H18N4O3S2.
What is the molecular weight of (E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile?
The molecular weight of (E)-5-(azepan-1-yl)-2-((3-(furan-2-ylmethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)oxazole-4-carbonitrile is 414.08 g/mol.
Where can I buy (E)-5-(azepan-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-(azepan-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-(azepan-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-(azepan-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.