Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-
TL;DR: Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- (CAS 14006-80-5) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-3-methyl-1,5,6,7-tetrahydroindol-4-one
Also Known As: 2-Acetyl-6,7-dihydro-3-methyl-indol-4(5H)-one, INDOL-4(5H)-ONE, 2-ACETYL-6,7-DIHYDRO-3-METHYL-, 5-21-10-00203 (Beilstein Handbook Reference), 2-acetyl-3-methyl-1,5,6,7-tetrahydro-4H-indol-4-one, 2-acetyl-3-methyl-1,5,6,7-tetrahydro-indol-4-one
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 14006-80-5 |
|---|---|
| SMILES | CC1=C(NC2=C1C(=O)CCC2)C(=O)C |
| InChIKey | OKZILCKGZMBOBK-UHFFFAOYSA-N |
Product Overview
Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- (CAS 14006-80-5), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 2-acetyl-3-methyl-1,5,6,7-tetrahydroindol-4-one.
Chemical Property Profile of Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-
Property Insights of Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-. With a topological polar surface area (TPSA) of 49.9 Ų, Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- has 1 hydrogen bond donor(s) and 2 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 Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-?
The CAS number of Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- is 14006-80-5.
What is the molecular formula of Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-?
The molecular formula of Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- is C11H13NO2.
What is the molecular weight of Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-?
The molecular weight of Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- is 191.09 g/mol.
Where can I buy Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-?
You can request a quote for Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Indol-4(5H)-one, 2-acetyl-6,7-dihydro-3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.