![(Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate structure](/static/products/796/796879-81-7.png)
(Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate
TL;DR: (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate (CAS 796879-81-7) is a chemical compound with molecular formula C27H17N3O4S and molecular weight 479.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(Z)-2-cyano-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
Also Known As: (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate, methyl 2-[[(Z)-2-cyano-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate
| Molecular Formula | C27H17N3O4S |
|---|---|
| Molecular Weight | 479.09 g/mol |
| LogP | 5.83288 |
| Topological Polar Surface Area | 105.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.09396 |
| Heavy Atoms | 35 |
| Complexity | 1726.388 |
Chemical Identifiers
| CAS Number | 796879-81-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N/C=C(/C#N)\C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O |
Product Overview
(Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate (CAS 796879-81-7), with molecular formula C27H17N3O4S and molecular weight 479.09 g/mol. IUPAC: methyl 2-[[(Z)-2-cyano-2-[4-(3-oxobenzo[f]chromen-2-yl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate.
Chemical Property Profile of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate
Property Insights of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate
The XLogP value of 5.83288 indicates that (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.22 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate. Following Lipinski's Rule of Five, (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate?
The CAS number of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate is 796879-81-7.
What is the molecular formula of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular formula of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate is C27H17N3O4S.
What is the molecular weight of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate?
The molecular weight of (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate is 479.09 g/mol.
Where can I buy (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate?
You can request a quote for (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((2-cyano-2-(4-(3-oxo-3H-benzo[f]chromen-2-yl)thiazol-2-yl)vinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.