ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
TL;DR: ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate (CAS 330834-06-5) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
Also Known As: ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate, ethyl 4-indolinyl-4-oxobutanoate, ethyl 4-(indolin-1-yl)-4-oxobutanoate, ethyl 4-(1-indolinyl)-4-oxobutyrate, BAS 02077824
| Molecular Formula | C14H17NO3 |
|---|---|
| Molecular Weight | 247.12 g/mol |
| LogP | 1.919 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.12085 |
| Heavy Atoms | 18 |
| Complexity | 456.10727 |
Chemical Identifiers
| CAS Number | 330834-06-5 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)N1CCC2=CC=CC=C21 |
Product Overview
ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate (CAS 330834-06-5), with molecular formula C14H17NO3 and molecular weight 247.12 g/mol. IUPAC: ethyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate.
Chemical Property Profile of ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
Property Insights of ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
The XLogP value of 1.919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate. With a topological polar surface area (TPSA) of 46.61 Ų, ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate has 0 hydrogen bond donor(s) and 3 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 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The CAS number of ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is 330834-06-5.
What is the molecular formula of ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The molecular formula of ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is C14H17NO3.
What is the molecular weight of ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The molecular weight of ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is 247.12 g/mol.
Where can I buy ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
You can request a quote for ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.