1-(4-Isopropylbenzyl)-5-nitro-1H-indole
TL;DR: 1-(4-Isopropylbenzyl)-5-nitro-1H-indole (CAS 512787-44-9) is a chemical compound with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1-[(4-propan-2-ylphenyl)methyl]indole
Also Known As: 1-(4-ISOPROPYLBENZYL)-5-NITRO-1H-INDOLE, 5-nitro-1-[(4-propan-2-ylphenyl)methyl]indole, 1-[(4-isopropylphenyl)methyl]-5-nitro-indole, 1H-Indole, 1-[[4-(1-methylethyl)phenyl]methyl]-5-nitro-, N/A
| Molecular Formula | C18H18N2O2 |
|---|---|
| Molecular Weight | 294.14 g/mol |
| LogP | 4.7212 |
| Topological Polar Surface Area | 48.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.13684 |
| Heavy Atoms | 22 |
| Complexity | 816.72437 |
Chemical Identifiers
| CAS Number | 512787-44-9 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC(=C3)[N+](=O)[O-] |
Product Overview
1-(4-Isopropylbenzyl)-5-nitro-1H-indole (CAS 512787-44-9), with molecular formula C18H18N2O2 and molecular weight 294.14 g/mol. IUPAC: 5-nitro-1-[(4-propan-2-ylphenyl)methyl]indole.
Chemical Property Profile of 1-(4-Isopropylbenzyl)-5-nitro-1H-indole
Property Insights of 1-(4-Isopropylbenzyl)-5-nitro-1H-indole
The XLogP value of 4.7212 indicates that 1-(4-Isopropylbenzyl)-5-nitro-1H-indole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.07 Ų, 1-(4-Isopropylbenzyl)-5-nitro-1H-indole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Isopropylbenzyl)-5-nitro-1H-indole has 0 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 1-(4-Isopropylbenzyl)-5-nitro-1H-indole?
The CAS number of 1-(4-Isopropylbenzyl)-5-nitro-1H-indole is 512787-44-9.
What is the molecular formula of 1-(4-Isopropylbenzyl)-5-nitro-1H-indole?
The molecular formula of 1-(4-Isopropylbenzyl)-5-nitro-1H-indole is C18H18N2O2.
What is the molecular weight of 1-(4-Isopropylbenzyl)-5-nitro-1H-indole?
The molecular weight of 1-(4-Isopropylbenzyl)-5-nitro-1H-indole is 294.14 g/mol.
Where can I buy 1-(4-Isopropylbenzyl)-5-nitro-1H-indole?
You can request a quote for 1-(4-Isopropylbenzyl)-5-nitro-1H-indole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Isopropylbenzyl)-5-nitro-1H-indole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Isopropylbenzyl)-5-nitro-1H-indole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.