1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-
TL;DR: 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- (CAS 51870-95-2) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-2-nitroethenyl]indol-1-yl]ethanone
Also Known As: 1-acetyl-3-(2-nitrovinyl)indole, BAS 00654959, 1-Acetyl-3-[(E)-2-nitroethenyl]-1H-indole, 1-[3-(2-Nitro-vinyl)-indol-1-yl]-ethanone, 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 2.5488 |
| Topological Polar Surface Area | 65.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 625.71246 |
Chemical Identifiers
| CAS Number | 51870-95-2 |
|---|---|
| SMILES | CC(=O)N1C=C(C2=CC=CC=C21)/C=C/[N+](=O)[O-] |
Product Overview
1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- (CAS 51870-95-2), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 1-[3-[(E)-2-nitroethenyl]indol-1-yl]ethanone.
Chemical Property Profile of 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-
Property Insights of 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-
The XLogP value of 2.5488 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-. The TPSA of 65.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-. Following Lipinski's Rule of Five, 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- 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 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-?
The CAS number of 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- is 51870-95-2.
What is the molecular formula of 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-?
The molecular formula of 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- is C12H10N2O3.
What is the molecular weight of 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-?
The molecular weight of 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- is 230.07 g/mol.
Where can I buy 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-?
You can request a quote for 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 1-acetyl-3-(2-nitroethenyl)-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.