1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole
TL;DR: 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole (CAS 657405-94-2) is a chemical compound with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)pyrrole
Also Known As: Maybridge1_002652, 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole, DivK1c_001404, CDS1_000364, 1-(7-Nitro-1,1,3,3,6-pentamethylindan-5-yl)-1H-pyrrole
| Molecular Formula | C18H22N2O2 |
|---|---|
| Molecular Weight | 298.17 g/mol |
| LogP | 4.65282 |
| Topological Polar Surface Area | 48.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.16812 |
| Heavy Atoms | 22 |
| Complexity | 755.8895 |
Chemical Identifiers
| CAS Number | 657405-94-2 |
|---|---|
| SMILES | CC1=C(C=C2C(=C1[N+](=O)[O-])C(CC2(C)C)(C)C)N3C=CC=C3 |
Product Overview
1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole (CAS 657405-94-2), with molecular formula C18H22N2O2 and molecular weight 298.17 g/mol. IUPAC: 1-(1,1,3,3,6-pentamethyl-7-nitro-2H-inden-5-yl)pyrrole.
Chemical Property Profile of 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole
Property Insights of 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole
The XLogP value of 4.65282 indicates that 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole 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-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole 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-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole?
The CAS number of 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole is 657405-94-2.
What is the molecular formula of 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole?
The molecular formula of 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole is C18H22N2O2.
What is the molecular weight of 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole?
The molecular weight of 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole is 298.17 g/mol.
Where can I buy 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole?
You can request a quote for 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1,3,3,6-pentamethyl-7-nitro-2,3-dihydro-1H-inden-5-yl)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.