3-硝基二苯甲烷
TL;DR: 3-硝基二苯甲烷 (CAS 5840-41-5) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-硝基二苯甲烷
1-benzyl-3-nitrobenzene
Also Known As: 1-Benzyl-3-nitrobenzene, m-Nitrodiphenylmethane, Methane, (m-nitrophenyl)phenyl-, 3-nitro-diphenyl methane, Benzene, 1-nitro-3-(phenylmethyl)-
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 5840-41-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | CMTUCQNYLNHJRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-硝基二苯甲烷 (CAS 5840-41-5), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: 1-benzyl-3-nitrobenzene.
Chemical Property Profile of 3-硝基二苯甲烷
Property Insights of 3-硝基二苯甲烷
The XLogP value of 4.2 indicates that 3-硝基二苯甲烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 3-硝基二苯甲烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-硝基二苯甲烷 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-硝基二苯甲烷?
The CAS number of 3-硝基二苯甲烷 is 5840-41-5.
What is the molecular formula of 3-硝基二苯甲烷?
The molecular formula of 3-硝基二苯甲烷 is C13H11NO2.
What is the molecular weight of 3-硝基二苯甲烷?
The molecular weight of 3-硝基二苯甲烷 is 213.08 g/mol.
Where can I buy 3-硝基二苯甲烷?
You can request a quote for 3-硝基二苯甲烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基二苯甲烷?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基二苯甲烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.