![1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one structure](/static/products/5186/51867-06-2.webp)
1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one
TL;DR: 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one (CAS 51867-06-2) is a chemical compound with molecular formula C18H15NO2 and molecular weight 277.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzoyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one
Also Known As: 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one, 1-benzoyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one, 1-benzoyl-4-keto-1,2,2a,3,4,5-hexahydrobenz[cd]indole
| Molecular Formula | C18H15NO2 |
|---|---|
| Molecular Weight | 277.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.1103 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 51867-06-2 |
|---|---|
| SMILES | C1C2CN(C3=CC=CC(=C23)CC1=O)C(=O)C4=CC=CC=C4 |
| InChIKey | XZKCQZDPAWMXSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one (CAS 51867-06-2), with molecular formula C18H15NO2 and molecular weight 277.11 g/mol. IUPAC: 1-benzoyl-2,2a,3,5-tetrahydrobenzo[cd]indol-4-one.
Chemical Property Profile of 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one
Property Insights of 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one. With a topological polar surface area (TPSA) of 37.4 Ų, 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one has 0 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 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one?
The CAS number of 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one is 51867-06-2.
What is the molecular formula of 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one?
The molecular formula of 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one is C18H15NO2.
What is the molecular weight of 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one?
The molecular weight of 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one is 277.11 g/mol.
Where can I buy 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one?
You can request a quote for 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-1,2,2a,5-tetrahydrobenzo[cd]indol-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.