ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate
TL;DR: ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate (CAS 54874-75-8) is a chemical compound with molecular formula C17H23NO4 and molecular weight 305.16 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-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate
Also Known As: ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate, ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indol, ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
| Molecular Formula | C17H23NO4 |
|---|---|
| Molecular Weight | 305.16 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 305.16272 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 54874-75-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1C)CCC(C2=O)CCC(=O)C)C |
| InChIKey | RBGUDMVCIRGHEJ-UHFFFAOYSA-N |
Product Overview
ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate (CAS 54874-75-8), with molecular formula C17H23NO4 and molecular weight 305.16 g/mol. IUPAC: ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate.
Chemical Property Profile of ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate
Property Insights of ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-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-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate?
The CAS number of ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate is 54874-75-8.
What is the molecular formula of ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate?
The molecular formula of ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate is C17H23NO4.
What is the molecular weight of ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate?
The molecular weight of ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate is 305.16 g/mol.
Where can I buy ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate?
You can request a quote for ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-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-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1,3-dimethyl-4-oxo-5-(3-oxobutyl)-6,7-dihydro-5H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.