![ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate structure](/static/products/433/433258-03-8.png)
ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate
TL;DR: ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate (CAS 433258-03-8) is a chemical compound with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobut-2-enoate
Also Known As: (E)-ethyl 4-((4-(6-methylbenzo[d]thiazol-2-yl)phenyl)amino)-4-oxobut-2-enoate, ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate, ethyl (E)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobut-2-enoate
| Molecular Formula | C20H18N2O3S |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 4.32952 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.10382 |
| Heavy Atoms | 26 |
| Complexity | 974.3899 |
Chemical Identifiers
| CAS Number | 433258-03-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/C(=O)NC1=CC=C(C=C1)C2=NC3=C(S2)C=C(C=C3)C |
Product Overview
ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate (CAS 433258-03-8), with molecular formula C20H18N2O3S and molecular weight 366.10 g/mol. IUPAC: ethyl (E)-4-[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-4-oxobut-2-enoate.
Chemical Property Profile of ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate
Property Insights of ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate
The XLogP value of 4.32952 indicates that ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate has 1 hydrogen bond donor(s) and 5 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 ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate?
The CAS number of ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate is 433258-03-8.
What is the molecular formula of ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate?
The molecular formula of ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate is C20H18N2O3S.
What is the molecular weight of ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate?
The molecular weight of ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate is 366.10 g/mol.
Where can I buy ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate?
You can request a quote for ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-4-{[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]amino}-4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.