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6-Amino-1-ethylbenzo[cd]indol-2(1H)-one
TL;DR: 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one (CAS 51331-93-2) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-1-ethylbenzo[cd]indol-2-one
Also Known As: 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one, 6-Amino-1-ethyl-1H-benzo[cd]indol-2-one, 6-amino-1-ethylbenzo[cd]indol-2-one, IFLab1_001820, 6-amino-1-ethyl-benzo[cd]indol-2-one
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 51331-93-2 |
|---|---|
| SMILES | CCN1C2=C3C(=C(C=C2)N)C=CC=C3C1=O |
| InChIKey | LZXPPDSORWBMRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Amino-1-ethylbenzo[cd]indol-2(1H)-one (CAS 51331-93-2), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: 6-amino-1-ethylbenzo[cd]indol-2-one.
Chemical Property Profile of 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one
Property Insights of 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one. With a topological polar surface area (TPSA) of 46.3 Ų, 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one 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 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one?
The CAS number of 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one is 51331-93-2.
What is the molecular formula of 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one?
The molecular formula of 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one is C13H12N2O.
What is the molecular weight of 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one?
The molecular weight of 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one is 212.09 g/mol.
Where can I buy 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one?
You can request a quote for 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Amino-1-ethylbenzo[cd]indol-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.