![ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate structure](/static/products/5886/588697-83-0.webp)
ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate
TL;DR: ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate (CAS 588697-83-0) is a chemical compound with molecular formula C21H26N2O3S2 and molecular weight 418.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-benzyl-2-[(2,6-dimethylmorpholine-4-carbothioyl)amino]thiophene-3-carboxylate
Also Known As: ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate, ethyl 5-benzyl-2-(2,6-dimethylmorpholine-4-carbothioamido)thiophene-3-carboxylate, ethyl 5-benzyl-2-[(2,6-dimethylmorpholine-4-carbothioyl)amino]thiophene-3-carboxylate, ethyl 5-benzyl-2-{[(2,6-dimethylmorpholin-4-yl)carbonothioyl]amino}thiophene-3-carboxylate
| Molecular Formula | C21H26N2O3S2 |
|---|---|
| Molecular Weight | 418.14 g/mol |
| LogP | 4.3216 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.1385 |
| Heavy Atoms | 28 |
| Complexity | 812.3131 |
Chemical Identifiers
| CAS Number | 588697-83-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CC(OC(C3)C)C |
Product Overview
ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate (CAS 588697-83-0), with molecular formula C21H26N2O3S2 and molecular weight 418.14 g/mol. IUPAC: ethyl 5-benzyl-2-[(2,6-dimethylmorpholine-4-carbothioyl)amino]thiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate
Property Insights of ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate
The XLogP value of 4.3216 indicates that ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate 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 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate?
The CAS number of ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate is 588697-83-0.
What is the molecular formula of ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate?
The molecular formula of ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate is C21H26N2O3S2.
What is the molecular weight of ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate?
The molecular weight of ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate is 418.14 g/mol.
Where can I buy ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate?
You can request a quote for ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-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-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{[(2,6-dimethylmorpholin-4-yl)thioxomethyl]amino}-5-benzylthiophene-3- carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.