3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one
TL;DR: 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one (CAS 376380-48-2) is a chemical compound with molecular formula C22H23NO5 and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(3-methylbutyl)-7-[(4-nitrophenyl)methoxy]chromen-2-one
Also Known As: 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one, 4-methyl-3-(3-methylbutyl)-7-[(4-nitrobenzyl)oxy]-2H-chromen-2-one, 4-methyl-3-(3-methylbutyl)-7-[(4-nitrophenyl)methoxy]chromen-2-one
| Molecular Formula | C22H23NO5 |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 5.17722 |
| Topological Polar Surface Area | 82.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.15762 |
| Heavy Atoms | 28 |
| Complexity | 1050.9504 |
Chemical Identifiers
| CAS Number | 376380-48-2 |
|---|---|
| SMILES | CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)[N+](=O)[O-])CCC(C)C |
Product Overview
3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one (CAS 376380-48-2), with molecular formula C22H23NO5 and molecular weight 381.16 g/mol. IUPAC: 4-methyl-3-(3-methylbutyl)-7-[(4-nitrophenyl)methoxy]chromen-2-one.
Chemical Property Profile of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one
Property Insights of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one
The XLogP value of 5.17722 indicates that 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one?
The CAS number of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one is 376380-48-2.
What is the molecular formula of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one?
The molecular formula of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one is C22H23NO5.
What is the molecular weight of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one?
The molecular weight of 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one is 381.16 g/mol.
Where can I buy 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one?
You can request a quote for 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-isopentyl-4-methyl-7-((4-nitrobenzyl)oxy)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.