(Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate
TL;DR: (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 579446-91-6) is a chemical compound with molecular formula C22H16N4O6S and molecular weight 464.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
Also Known As: (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate, dimethyl 5-({(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[[(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate, Dimethyl 5-[[2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C22H16N4O6S |
|---|---|
| Molecular Weight | 464.08 g/mol |
| LogP | 4.26808 |
| Topological Polar Surface Area | 144.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 464.07904 |
| Heavy Atoms | 33 |
| Complexity | 1256.7101 |
Chemical Identifiers
| CAS Number | 579446-91-6 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC |
Product Overview
(Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 579446-91-6), with molecular formula C22H16N4O6S and molecular weight 464.08 g/mol. IUPAC: dimethyl 5-[[(Z)-2-cyano-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate
Property Insights of (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate
The XLogP value of 4.26808 indicates that (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.45 Ų indicates high polarity, suggesting (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate has 1 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)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate?
The CAS number of (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate is 579446-91-6.
What is the molecular formula of (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular formula of (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate is C22H16N4O6S.
What is the molecular weight of (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular weight of (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate is 464.08 g/mol.
Where can I buy (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate?
You can request a quote for (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-dimethyl 5-((2-cyano-2-(4-(4-nitrophenyl)thiazol-2-yl)vinyl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.