![ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate structure](/static/products/5933/5933-69-7.webp)
ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
TL;DR: ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate (CAS 5933-69-7) is a chemical compound with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate, ethyl 2-[3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23N3O3S2 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.14014 |
| Topological Polar Surface Area | 86.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.11807 |
| Heavy Atoms | 29 |
| Complexity | 1075.6006 |
Chemical Identifiers
| CAS Number | 5933-69-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)N3C(=CC(=C3C)C=C4C(=O)N=C(S4)N)C |
Product Overview
ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate (CAS 5933-69-7), with molecular formula C21H23N3O3S2 and molecular weight 429.12 g/mol. IUPAC: ethyl 2-[3-[(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
Property Insights of ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate
The XLogP value of 4.14014 indicates that ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate 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 ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate?
The CAS number of ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate is 5933-69-7.
What is the molecular formula of ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate?
The molecular formula of ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate is C21H23N3O3S2.
What is the molecular weight of ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate?
The molecular weight of ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate is 429.12 g/mol.
Where can I buy ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate?
You can request a quote for ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[3-[(E)-(2-amino-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethyl-pyrrol-1-yl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.