![(E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate structure](/static/products/5869/586995-07-5.webp)
(E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate
TL;DR: (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate (CAS 586995-07-5) is a chemical compound with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino]benzoate
Also Known As: (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate, VU0510222-1, F3139-1306, METHYL 2-{[(1E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-CYANOETH-1-EN-1-YL]AMINO}BENZOATE, methyl 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino]benzoate
| Molecular Formula | C18H13N3O2S |
|---|---|
| Molecular Weight | 335.07 g/mol |
| LogP | 4.05948 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.07285 |
| Heavy Atoms | 24 |
| Complexity | 936.5544 |
Chemical Identifiers
| CAS Number | 586995-07-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1N/C=C(\C#N)/C2=NC3=CC=CC=C3S2 |
Product Overview
(E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate (CAS 586995-07-5), with molecular formula C18H13N3O2S and molecular weight 335.07 g/mol. IUPAC: methyl 2-[[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]amino]benzoate.
Chemical Property Profile of (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate
Property Insights of (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate
The XLogP value of 4.05948 indicates that (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate has 1 hydrogen bond donor(s) and 6 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)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
The CAS number of (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate is 586995-07-5.
What is the molecular formula of (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
The molecular formula of (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate is C18H13N3O2S.
What is the molecular weight of (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
The molecular weight of (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate is 335.07 g/mol.
Where can I buy (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
You can request a quote for (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.