(Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile
TL;DR: (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile (CAS 844446-99-7) is a chemical compound with molecular formula C22H22N4O5S2 and molecular weight 486.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(Z)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
Also Known As: (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile, 2-[(Z)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile
| Molecular Formula | C22H22N4O5S2 |
|---|---|
| Molecular Weight | 486.10 g/mol |
| LogP | 2.84398 |
| Topological Polar Surface Area | 101.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.10315 |
| Heavy Atoms | 33 |
| Complexity | 1134.2914 |
Chemical Identifiers
| CAS Number | 844446-99-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/C3=NC(=C(O3)N4CCOCC4)C#N)/SC2=S)OC |
Product Overview
(Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile (CAS 844446-99-7), with molecular formula C22H22N4O5S2 and molecular weight 486.10 g/mol. IUPAC: 2-[(Z)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-5-morpholin-4-yl-1,3-oxazole-4-carbonitrile.
Chemical Property Profile of (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile
Property Insights of (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile
The XLogP value of 2.84398 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile. The TPSA of 101.06 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile. Following Lipinski's Rule of Five, (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile has 0 hydrogen bond donor(s) and 10 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 (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
The CAS number of (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile is 844446-99-7.
What is the molecular formula of (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
The molecular formula of (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile is C22H22N4O5S2.
What is the molecular weight of (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
The molecular weight of (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile is 486.10 g/mol.
Where can I buy (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
You can request a quote for (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((3-(3,4-dimethoxyphenethyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-5-morpholinooxazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.