1H-Indole, 3-methyl-2-propanoyl-
TL;DR: 1H-Indole, 3-methyl-2-propanoyl- (CAS 859954-23-7) 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-(3-methyl-1H-indol-2-yl)propan-1-one
Also Known As: 1H-Indole, 3-methyl-2-propanoyl-, 1-(3-methyl-indol-2-yl)-propan-1-one, 1-(3-methyl-1H-indol-2-yl)propan-1-one, Ethyl(3-methyl-1H-indole-2-yl) ketone, J3.632.948C
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 859954-23-7 |
|---|---|
| SMILES | CCC(=O)C1=C(C2=CC=CC=C2N1)C |
| InChIKey | GFIZJNAOFLSTGH-UHFFFAOYSA-N |
Product Overview
1H-Indole, 3-methyl-2-propanoyl- (CAS 859954-23-7), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 1-(3-methyl-1H-indol-2-yl)propan-1-one.
Chemical Property Profile of 1H-Indole, 3-methyl-2-propanoyl-
Property Insights of 1H-Indole, 3-methyl-2-propanoyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole, 3-methyl-2-propanoyl-. With a topological polar surface area (TPSA) of 32.9 Ų, 1H-Indole, 3-methyl-2-propanoyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 3-methyl-2-propanoyl- 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 1H-Indole, 3-methyl-2-propanoyl-?
The CAS number of 1H-Indole, 3-methyl-2-propanoyl- is 859954-23-7.
What is the molecular formula of 1H-Indole, 3-methyl-2-propanoyl-?
The molecular formula of 1H-Indole, 3-methyl-2-propanoyl- is C12H13NO.
What is the molecular weight of 1H-Indole, 3-methyl-2-propanoyl-?
The molecular weight of 1H-Indole, 3-methyl-2-propanoyl- is 187.10 g/mol.
Where can I buy 1H-Indole, 3-methyl-2-propanoyl-?
You can request a quote for 1H-Indole, 3-methyl-2-propanoyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 3-methyl-2-propanoyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 3-methyl-2-propanoyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.