![(E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate structure](/static/products/371/371224-92-9.png)
(E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
TL;DR: (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate (CAS 371224-92-9) is a chemical compound with molecular formula C21H28N2O3S and molecular weight 388.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(ethoxymethylideneamino)-5-(2-methylpropyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Also Known As: (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate, ethyl 1-(ethoxymethylideneamino)-5-(2-methylpropyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate, ethyl 1-{[(E)-ethoxymethylidene]amino}-5-(2-methylpropyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
| Molecular Formula | C21H28N2O3S |
|---|---|
| Molecular Weight | 388.18 g/mol |
| LogP | 5.2466 |
| Topological Polar Surface Area | 60.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 388.18207 |
| Heavy Atoms | 27 |
| Complexity | 854.9642 |
Chemical Identifiers
| CAS Number | 371224-92-9 |
|---|---|
| SMILES | CCOC=NC1=C(SC2=C1C3=C(CCCC3)C(=N2)CC(C)C)C(=O)OCC |
Product Overview
(E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate (CAS 371224-92-9), with molecular formula C21H28N2O3S and molecular weight 388.18 g/mol. IUPAC: ethyl 1-(ethoxymethylideneamino)-5-(2-methylpropyl)-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate.
Chemical Property Profile of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
Property Insights of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate
The XLogP value of 5.2466 indicates that (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.78 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The CAS number of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is 371224-92-9.
What is the molecular formula of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The molecular formula of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is C21H28N2O3S.
What is the molecular weight of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
The molecular weight of (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate is 388.18 g/mol.
Where can I buy (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
You can request a quote for (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 1-((ethoxymethylene)amino)-5-isobutyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.