ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate
TL;DR: ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate (CAS 84990-06-7) is a chemical compound with molecular formula C19H26N2O3 and molecular weight 330.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate
Also Known As: ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate, ethyl 1,3-dimethyl-4-oxo-5-(1-piperidylmethylidene)-6,7-dihydroindole-2-carboxylate, Ethyl 1,3-dimethyl-4-oxo-5-[(piperidin-1-yl)methylidene]-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
| Molecular Formula | C19H26N2O3 |
|---|---|
| Molecular Weight | 330.19 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 51.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.19434 |
| Heavy Atoms | 24 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 84990-06-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1C)CCC(=CN3CCCCC3)C2=O)C |
| InChIKey | QJYFSIQHGXZCEL-UHFFFAOYSA-N |
Product Overview
ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate (CAS 84990-06-7), with molecular formula C19H26N2O3 and molecular weight 330.19 g/mol. IUPAC: ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate.
Chemical Property Profile of ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate
Property Insights of ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate. With a topological polar surface area (TPSA) of 51.5 Ų, ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate has 0 hydrogen bond donor(s) and 4 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 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate?
The CAS number of ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate is 84990-06-7.
What is the molecular formula of ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate?
The molecular formula of ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate is C19H26N2O3.
What is the molecular weight of ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate?
The molecular weight of ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate is 330.19 g/mol.
Where can I buy ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate?
You can request a quote for ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1,3-dimethyl-4-oxo-5-(piperidin-1-ylmethylidene)-6,7-dihydroindole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.