2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid
TL;DR: 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid (CAS 672-67-3) 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.
2-(1-methylindol-3-yl)-4-oxo-4-phenylbutanoic acid
Also Known As: 2-(1-methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid, 2-(1-methylindol-3-yl)-4-oxo-4-phenylbutanoic acid, 1,4-Naphthalenediol,6,7-dimethyl, AO-990/37423017, 2-(1-methylindol-3-yl)-4-oxo-4-phenyl-butanoic acid
| Molecular Formula | C19H17NO3 |
|---|---|
| Molecular Weight | 307.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.12085 |
| Heavy Atoms | 23 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 672-67-3 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)C(CC(=O)C3=CC=CC=C3)C(=O)O |
| InChIKey | CFCVZKGESVQTIL-UHFFFAOYSA-N |
Product Overview
2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid (CAS 672-67-3), with molecular formula C19H17NO3 and molecular weight 307.12 g/mol. IUPAC: 2-(1-methylindol-3-yl)-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid
Property Insights of 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid 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 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid is 672-67-3.
What is the molecular formula of 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid is C19H17NO3.
What is the molecular weight of 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid is 307.12 g/mol.
Where can I buy 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-1h-indol-3-yl)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.