(3-Nitrophenyl)methyl
TL;DR: (3-Nitrophenyl)methyl (CAS 61219-63-4) is a chemical compound with molecular formula C7H6NO2 and molecular weight 136.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: m-nitrobenzyl, 3-nitrobenzyl, 3-Nitrobenzyl radical, (3-nitrophenyl)methyl, 1-Methyl-3-nitrobenzene
| Molecular Formula | C7H6NO2 |
|---|---|
| Molecular Weight | 136.04 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.03986 |
| Heavy Atoms | 10 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 61219-63-4 |
|---|---|
| SMILES | [CH2]C1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | PRJWEPRQDKFJHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Nitrophenyl)methyl (CAS 61219-63-4), with molecular formula C7H6NO2 and molecular weight 136.04 g/mol.
Chemical Property Profile of (3-Nitrophenyl)methyl
Property Insights of (3-Nitrophenyl)methyl
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Nitrophenyl)methyl. With a topological polar surface area (TPSA) of 45.8 Ų, (3-Nitrophenyl)methyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Nitrophenyl)methyl 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 (3-Nitrophenyl)methyl?
The CAS number of (3-Nitrophenyl)methyl is 61219-63-4.
What is the molecular formula of (3-Nitrophenyl)methyl?
The molecular formula of (3-Nitrophenyl)methyl is C7H6NO2.
What is the molecular weight of (3-Nitrophenyl)methyl?
The molecular weight of (3-Nitrophenyl)methyl is 136.04 g/mol.
Where can I buy (3-Nitrophenyl)methyl?
You can request a quote for (3-Nitrophenyl)methyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Nitrophenyl)methyl?
Yes, KEHONG BIO provides custom synthesis services for (3-Nitrophenyl)methyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.