1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone
TL;DR: 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone (CAS 41018-97-7) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dimethyl-5-nitroindol-1-yl)ethanone
Also Known As: 1-(2,3-Dimethyl-5-nitro-1H-indol-1-yl)ethanone, 1-(2,3-Dimethyl-5-nitro-indol-1-yl)-ethanone, BAS 00547436, 1-acetyl-2,3-dimethyl-5-nitro-1H-indole, 1-(2,3-dimethyl-5-nitro-1H-indol-1-yl)ethan-1-one
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 2.82644 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 640.72845 |
Chemical Identifiers
| CAS Number | 41018-97-7 |
|---|---|
| SMILES | CC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])C(=O)C)C |
Product Overview
1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone (CAS 41018-97-7), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 1-(2,3-dimethyl-5-nitroindol-1-yl)ethanone.
Chemical Property Profile of 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone
Property Insights of 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone
The XLogP value of 2.82644 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone. Following Lipinski's Rule of Five, 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone 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-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone?
The CAS number of 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone is 41018-97-7.
What is the molecular formula of 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone?
The molecular formula of 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone is C12H12N2O3.
What is the molecular weight of 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone?
The molecular weight of 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone is 232.08 g/mol.
Where can I buy 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone?
You can request a quote for 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone 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-Dimethyl-5-nitro-indol-1-YL)-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Dimethyl-5-nitro-indol-1-YL)-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.