(Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate
TL;DR: (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 799768-62-0) is a chemical compound with molecular formula C20H15N3O4S2 and molecular weight 425.05 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-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzene-1,3-dicarboxylate
Also Known As: (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate, dimethyl 5-({(Z)-2-cyano-2-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]ethenyl}amino)benzene-1,3-dicarboxylate, dimethyl 5-[[(Z)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzene-1,3-dicarboxylate, Dimethyl 5-[[2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C20H15N3O4S2 |
|---|---|
| Molecular Weight | 425.05 g/mol |
| LogP | 4.42138 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.05038 |
| Heavy Atoms | 29 |
| Complexity | 1076.9524 |
Chemical Identifiers
| CAS Number | 799768-62-0 |
|---|---|
| SMILES | COC(=O)C1=CC(=CC(=C1)N/C=C(/C#N)\C2=NC(=CS2)C3=CC=CS3)C(=O)OC |
Product Overview
(Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 799768-62-0), with molecular formula C20H15N3O4S2 and molecular weight 425.05 g/mol. IUPAC: dimethyl 5-[[(Z)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate
Property Insights of (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate
The XLogP value of 4.42138 indicates that (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate. Following Lipinski's Rule of Five, (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate has 1 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 (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate?
The CAS number of (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate is 799768-62-0.
What is the molecular formula of (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular formula of (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate is C20H15N3O4S2.
What is the molecular weight of (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular weight of (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate is 425.05 g/mol.
Where can I buy (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate?
You can request a quote for (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)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-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-dimethyl 5-((2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.