4-Nitrodiphenylmethane
TL;DR: 4-Nitrodiphenylmethane (CAS 1817-77-2) 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.
1-benzyl-4-nitrobenzene
Also Known As: 4-Nitrodiphenylmethane, 1-Benzyl-4-nitrobenzene, p-Nitrodiphenylmethane, Benzene, 1-nitro-4-(phenylmethyl)-, 1-benzyl-4-nitro-benzene
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 4.1 |
| 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 | 223.0 |
Chemical Identifiers
| CAS Number | 1817-77-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | IDSGFSCSMXRJON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrodiphenylmethane (CAS 1817-77-2), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: 1-benzyl-4-nitrobenzene.
Chemical Property Profile of 4-Nitrodiphenylmethane
Property Insights of 4-Nitrodiphenylmethane
The XLogP value of 4.1 indicates that 4-Nitrodiphenylmethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, 4-Nitrodiphenylmethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Nitrodiphenylmethane 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 4-Nitrodiphenylmethane?
The CAS number of 4-Nitrodiphenylmethane is 1817-77-2.
What is the molecular formula of 4-Nitrodiphenylmethane?
The molecular formula of 4-Nitrodiphenylmethane is C13H11NO2.
What is the molecular weight of 4-Nitrodiphenylmethane?
The molecular weight of 4-Nitrodiphenylmethane is 213.08 g/mol.
Where can I buy 4-Nitrodiphenylmethane?
You can request a quote for 4-Nitrodiphenylmethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrodiphenylmethane?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrodiphenylmethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.