3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one
TL;DR: 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one (CAS 257882-69-2) is a chemical compound with molecular formula C15H11NO4 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one
Also Known As: 3-(4-nitrophenyl)isochroman-1-one, J1.215.983H, 3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one, 3-(4-Nitrophenyl)-3,4-dihydro-1H-2-benzopyran-1-one
| Molecular Formula | C15H11NO4 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 3.049 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.06882 |
| Heavy Atoms | 20 |
| Complexity | 678.5278 |
Chemical Identifiers
| CAS Number | 257882-69-2 |
|---|---|
| SMILES | C1C(OC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one (CAS 257882-69-2), with molecular formula C15H11NO4 and molecular weight 269.07 g/mol. IUPAC: 3-(4-nitrophenyl)-3,4-dihydroisochromen-1-one.
Chemical Property Profile of 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one
Property Insights of 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one
The XLogP value of 3.049 indicates that 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one. Following Lipinski's Rule of Five, 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one has 0 hydrogen bond donor(s) and 4 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 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one?
The CAS number of 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one is 257882-69-2.
What is the molecular formula of 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one?
The molecular formula of 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one is C15H11NO4.
What is the molecular weight of 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one?
The molecular weight of 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one is 269.07 g/mol.
Where can I buy 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one?
You can request a quote for 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenyl)-3,4-dihydroisochromen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.