methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
TL;DR: methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate (CAS 314284-83-8) is a chemical compound with molecular formula C13H15NO3 and molecular weight 233.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate
Also Known As: ChemDiv2_000501, methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate, IFLab1_005671, methyl 4-(indolin-1-yl)-4-oxobutanoate, methyl 4-indolinyl-4-oxobutanoate
| Molecular Formula | C13H15NO3 |
|---|---|
| Molecular Weight | 233.11 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.1052 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 314284-83-8 |
|---|---|
| SMILES | COC(=O)CCC(=O)N1CCC2=CC=CC=C21 |
| InChIKey | AYMVNVWATJUROX-UHFFFAOYSA-N |
Product Overview
methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate (CAS 314284-83-8), with molecular formula C13H15NO3 and molecular weight 233.11 g/mol. IUPAC: methyl 4-(2,3-dihydroindol-1-yl)-4-oxobutanoate.
Chemical Property Profile of methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
Property Insights of methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate. With a topological polar surface area (TPSA) of 46.6 Ų, methyl 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, methyl 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 methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The CAS number of methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is 314284-83-8.
What is the molecular formula of methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The molecular formula of methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is C13H15NO3.
What is the molecular weight of methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
The molecular weight of methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate is 233.11 g/mol.
Where can I buy methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
You can request a quote for methyl 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 methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(2,3-dihydro-1H-indol-1-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.