(E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate
TL;DR: (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 799776-39-9) is a chemical compound with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(E)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
Also Known As: AB00685806-01, (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate, F1291-0209, 1,3-dimethyl 5-{[(1E)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzene-1,3-dicarboxylate, dimethyl 5-[[(E)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C23H19N3O4S |
|---|---|
| Molecular Weight | 433.11 g/mol |
| LogP | 4.6683 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 433.10962 |
| Heavy Atoms | 31 |
| Complexity | 1156.0258 |
Chemical Identifiers
| CAS Number | 799776-39-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)/C#N |
Product Overview
(E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate (CAS 799776-39-9), with molecular formula C23H19N3O4S and molecular weight 433.11 g/mol. IUPAC: dimethyl 5-[[(E)-2-cyano-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate
Property Insights of (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate
The XLogP value of 4.6683 indicates that (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)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 (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate. Following Lipinski's Rule of Five, (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate has 1 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)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate?
The CAS number of (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate is 799776-39-9.
What is the molecular formula of (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular formula of (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate is C23H19N3O4S.
What is the molecular weight of (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate?
The molecular weight of (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate is 433.11 g/mol.
Where can I buy (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate?
You can request a quote for (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)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 (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for (E)-dimethyl 5-((2-cyano-2-(4-(p-tolyl)thiazol-2-yl)vinyl)amino)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.