1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one
TL;DR: 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one (CAS 13701-70-7) is a chemical compound with molecular formula C15H15NO and molecular weight 225.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-6,7-dihydro-5H-indol-4-one
Also Known As: 1-benzyl-1,5,6,7-tetrahydro-4h-indol-4-one, 1-benzyl-6,7-dihydro-5H-indol-4-one, 1-benzyl-4,5,6,7-tetrahydro-1H-indol-4-one, 4-oxo-1-benzyl-4,5,6,7-tetrahydroindole, N-benzyl-4-oxo-4,5,6,7-tetrahydroindole
| Molecular Formula | C15H15NO |
|---|---|
| Molecular Weight | 225.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.11537 |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 13701-70-7 |
|---|---|
| SMILES | C1CC2=C(C=CN2CC3=CC=CC=C3)C(=O)C1 |
| InChIKey | XQFYFKMPBWSFOP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one (CAS 13701-70-7), with molecular formula C15H15NO and molecular weight 225.12 g/mol. IUPAC: 1-benzyl-6,7-dihydro-5H-indol-4-one.
Chemical Property Profile of 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one
Property Insights of 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one. With a topological polar surface area (TPSA) of 22.0 Ų, 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-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-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one?
The CAS number of 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one is 13701-70-7.
What is the molecular formula of 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one?
The molecular formula of 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one is C15H15NO.
What is the molecular weight of 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one?
The molecular weight of 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one is 225.12 g/mol.
Where can I buy 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one?
You can request a quote for 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-1,5,6,7-tetrahydro-4h-indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.