methyl 4-(1H-indol-3-yl)-4-oxobutanoate
TL;DR: methyl 4-(1H-indol-3-yl)-4-oxobutanoate (CAS 13672-36-1) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(1H-indol-3-yl)-4-oxobutanoate
Also Known As: methyl 4-(1H-indol-3-yl)-4-oxobutanoate, Methyl 4-(1H-indol-3-yl)-4-oxo-butanoate, J1.884.509A, 4-Oxo-4-(1H-indole-3-yl)butyric acid methyl ester
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 2.3038 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 556.54486 |
Chemical Identifiers
| CAS Number | 13672-36-1 |
|---|---|
| SMILES | COC(=O)CCC(=O)C1=CNC2=CC=CC=C21 |
Product Overview
methyl 4-(1H-indol-3-yl)-4-oxobutanoate (CAS 13672-36-1), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: methyl 4-(1H-indol-3-yl)-4-oxobutanoate.
Chemical Property Profile of methyl 4-(1H-indol-3-yl)-4-oxobutanoate
Property Insights of methyl 4-(1H-indol-3-yl)-4-oxobutanoate
The XLogP value of 2.3038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(1H-indol-3-yl)-4-oxobutanoate. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 4-(1H-indol-3-yl)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(1H-indol-3-yl)-4-oxobutanoate has 1 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-(1H-indol-3-yl)-4-oxobutanoate?
The CAS number of methyl 4-(1H-indol-3-yl)-4-oxobutanoate is 13672-36-1.
What is the molecular formula of methyl 4-(1H-indol-3-yl)-4-oxobutanoate?
The molecular formula of methyl 4-(1H-indol-3-yl)-4-oxobutanoate is C13H13NO3.
What is the molecular weight of methyl 4-(1H-indol-3-yl)-4-oxobutanoate?
The molecular weight of methyl 4-(1H-indol-3-yl)-4-oxobutanoate is 231.09 g/mol.
Where can I buy methyl 4-(1H-indol-3-yl)-4-oxobutanoate?
You can request a quote for methyl 4-(1H-indol-3-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-(1H-indol-3-yl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(1H-indol-3-yl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.