methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate
TL;DR: methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate (CAS 54104-08-4) is a chemical compound with molecular formula C19H17NO3 and molecular weight 307.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate
Also Known As: METHYL 2-INDOL-3-YL-4-OXO-4-PHENYLBUTANOATE, methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate, J2.783.411F, Methyl 2-(1H-indol-3-yl)-4-oxo-4-phenyl-butanoate, 2-(1H-Indole-3-yl)-4-oxo-4-phenylbutanoic acid methyl ester
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 3.6975 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 835.9567 |
Chemical Identifiers
| CAS Number | 54104-08-4 |
|---|---|
| SMILES | COC(=O)C(CC(=O)C1=CC=CC=C1)C2=CNC3=CC=CC=C32 |
Product Overview
methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate (CAS 54104-08-4), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate.
Chemical Property Profile of methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate
Property Insights of methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate
The XLogP value of 3.6975 indicates that methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.16 Ų, methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate 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 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate?
The CAS number of methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate is 54104-08-4.
What is the molecular formula of methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate?
The molecular formula of methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate is C19H17NO3.
What is the molecular weight of methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate?
The molecular weight of methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate is 307.12 g/mol.
Where can I buy methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate?
You can request a quote for methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1H-indol-3-yl)-4-oxo-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.