1-(1H-indol-3-yl)-2-methylpropan-1-one
TL;DR: 1-(1H-indol-3-yl)-2-methylpropan-1-one (CAS 57642-07-6) is a chemical compound with molecular formula C12H13NO and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1H-indol-3-yl)-2-methylpropan-1-one
Also Known As: 1-(1H-indol-3-yl)-2-methylpropan-1-one, 3-isobutyrylindole, 1-(1H-indol-3-yl)-2-methyl-1-propanone, 3-indolylisopropylketone, 1-(1H-indol-3-yl)-2-methyl-propan-1-one
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 3.0066 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 467.8814 |
Chemical Identifiers
| CAS Number | 57642-07-6 |
|---|---|
| SMILES | CC(C)C(=O)C1=CNC2=CC=CC=C21 |
Product Overview
1-(1H-indol-3-yl)-2-methylpropan-1-one (CAS 57642-07-6), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 1-(1H-indol-3-yl)-2-methylpropan-1-one.
Chemical Property Profile of 1-(1H-indol-3-yl)-2-methylpropan-1-one
Property Insights of 1-(1H-indol-3-yl)-2-methylpropan-1-one
The XLogP value of 3.0066 indicates that 1-(1H-indol-3-yl)-2-methylpropan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 1-(1H-indol-3-yl)-2-methylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-indol-3-yl)-2-methylpropan-1-one has 1 hydrogen bond donor(s) and 1 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 1-(1H-indol-3-yl)-2-methylpropan-1-one?
The CAS number of 1-(1H-indol-3-yl)-2-methylpropan-1-one is 57642-07-6.
What is the molecular formula of 1-(1H-indol-3-yl)-2-methylpropan-1-one?
The molecular formula of 1-(1H-indol-3-yl)-2-methylpropan-1-one is C12H13NO.
What is the molecular weight of 1-(1H-indol-3-yl)-2-methylpropan-1-one?
The molecular weight of 1-(1H-indol-3-yl)-2-methylpropan-1-one is 187.10 g/mol.
Where can I buy 1-(1H-indol-3-yl)-2-methylpropan-1-one?
You can request a quote for 1-(1H-indol-3-yl)-2-methylpropan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-indol-3-yl)-2-methylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-indol-3-yl)-2-methylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.