1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one
TL;DR: 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one (CAS 178809-22-8) is a chemical compound with molecular formula C13H17NO and molecular weight 203.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one
Also Known As: 1-Pivaloylindoline, 1-indolinyl-2,2-dimethylpropan-1-one, J3.655.029E, 1-(tert-Butylcarbonyl)-2,3-dihydro-1H-indole, 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one
| Molecular Formula | C13H17NO |
|---|---|
| Molecular Weight | 203.13 g/mol |
| LogP | 2.6218 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.13101 |
| Heavy Atoms | 15 |
| Complexity | 389.76758 |
Chemical Identifiers
| CAS Number | 178809-22-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)N1CCC2=CC=CC=C21 |
Product Overview
1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one (CAS 178809-22-8), with molecular formula C13H17NO and molecular weight 203.13 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-one.
Chemical Property Profile of 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one
Property Insights of 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one
The XLogP value of 2.6218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one has 0 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-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one?
The CAS number of 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one is 178809-22-8.
What is the molecular formula of 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one?
The molecular formula of 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one is C13H17NO.
What is the molecular weight of 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one?
The molecular weight of 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one is 203.13 g/mol.
Where can I buy 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one?
You can request a quote for 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-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-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-dihydro-1H-indol-1-yl)-2,2-dimethylpropan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.