1-Methylindole;1,3,5-trinitrobenzene
TL;DR: 1-Methylindole;1,3,5-trinitrobenzene (CAS 65306-79-8) is a chemical compound with molecular formula C15H12N4O6 and molecular weight 344.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylindole;1,3,5-trinitrobenzene
Also Known As: 1-methylindole,1,3,5-trinitrobenzene, 1-methylindole; 1,3,5-trinitrobenzene, 1H-Indole, 1-methyl-, compd. with 1,3,5-trinitrobenzene (1:1), 1-Methyl-1H-indole--1,3,5-trinitrobenzene (1/1), 1H-Indole,1-methyl-,compd. with 1,3,5-trinitrobenzene (1:1)
| Molecular Formula | C15H12N4O6 |
|---|---|
| Molecular Weight | 344.08 g/mol |
| LogP | 3.5895 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 344.07568 |
| Heavy Atoms | 25 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 65306-79-8 |
|---|---|
| SMILES | CN1C=CC2=CC=CC=C21.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CGPGJGSAPCOJTB-UHFFFAOYSA-N |
Product Overview
1-Methylindole;1,3,5-trinitrobenzene (CAS 65306-79-8), with molecular formula C15H12N4O6 and molecular weight 344.08 g/mol. IUPAC: 1-methylindole;1,3,5-trinitrobenzene.
Chemical Property Profile of 1-Methylindole;1,3,5-trinitrobenzene
Property Insights of 1-Methylindole;1,3,5-trinitrobenzene
The XLogP value of 3.5895 indicates that 1-Methylindole;1,3,5-trinitrobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.0 Ų indicates high polarity, suggesting 1-Methylindole;1,3,5-trinitrobenzene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Methylindole;1,3,5-trinitrobenzene has 0 hydrogen bond donor(s) and 6 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-Methylindole;1,3,5-trinitrobenzene?
The CAS number of 1-Methylindole;1,3,5-trinitrobenzene is 65306-79-8.
What is the molecular formula of 1-Methylindole;1,3,5-trinitrobenzene?
The molecular formula of 1-Methylindole;1,3,5-trinitrobenzene is C15H12N4O6.
What is the molecular weight of 1-Methylindole;1,3,5-trinitrobenzene?
The molecular weight of 1-Methylindole;1,3,5-trinitrobenzene is 344.08 g/mol.
Where can I buy 1-Methylindole;1,3,5-trinitrobenzene?
You can request a quote for 1-Methylindole;1,3,5-trinitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylindole;1,3,5-trinitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylindole;1,3,5-trinitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.