![1-[(Diethylamino)methyl]-1H-indole-2,3-dione structure](/static/products/1314/13147-50-7.webp)
1-[(Diethylamino)methyl]-1H-indole-2,3-dione
TL;DR: 1-[(Diethylamino)methyl]-1H-indole-2,3-dione (CAS 13147-50-7) is a chemical compound with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(diethylaminomethyl)indole-2,3-dione
Also Known As: 1-[(diethylamino)methyl]-1H-indole-2,3-dione, 1-((Diethylamino)methyl)-1H-indole-2,3-dione, 1-(diethylaminomethyl)indole-2,3-dione, 1-Diaethylaminomethyl-indolin-2,3-dion, 1-(diethylaminomethyl)indoline-2,3-dione
| Molecular Formula | C13H16N2O2 |
|---|---|
| Molecular Weight | 232.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.12119 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 13147-50-7 |
|---|---|
| SMILES | CCN(CC)CN1C2=CC=CC=C2C(=O)C1=O |
| InChIKey | QMQBCPBUOZQQAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(Diethylamino)methyl]-1H-indole-2,3-dione (CAS 13147-50-7), with molecular formula C13H16N2O2 and molecular weight 232.12 g/mol. IUPAC: 1-(diethylaminomethyl)indole-2,3-dione.
Chemical Property Profile of 1-[(Diethylamino)methyl]-1H-indole-2,3-dione
Property Insights of 1-[(Diethylamino)methyl]-1H-indole-2,3-dione
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(Diethylamino)methyl]-1H-indole-2,3-dione. With a topological polar surface area (TPSA) of 40.6 Ų, 1-[(Diethylamino)methyl]-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(Diethylamino)methyl]-1H-indole-2,3-dione has 0 hydrogen bond donor(s) and 3 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-[(Diethylamino)methyl]-1H-indole-2,3-dione?
The CAS number of 1-[(Diethylamino)methyl]-1H-indole-2,3-dione is 13147-50-7.
What is the molecular formula of 1-[(Diethylamino)methyl]-1H-indole-2,3-dione?
The molecular formula of 1-[(Diethylamino)methyl]-1H-indole-2,3-dione is C13H16N2O2.
What is the molecular weight of 1-[(Diethylamino)methyl]-1H-indole-2,3-dione?
The molecular weight of 1-[(Diethylamino)methyl]-1H-indole-2,3-dione is 232.12 g/mol.
Where can I buy 1-[(Diethylamino)methyl]-1H-indole-2,3-dione?
You can request a quote for 1-[(Diethylamino)methyl]-1H-indole-2,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(Diethylamino)methyl]-1H-indole-2,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-[(Diethylamino)methyl]-1H-indole-2,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.