3-Methyl-4-nitrobiphenyl
TL;DR: 3-Methyl-4-nitrobiphenyl (CAS 69314-47-2) 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.
2-methyl-1-nitro-4-phenylbenzene
Also Known As: 3-Methyl-4-nitrobiphenyl, 3-Methyl-4-nitro-biphenyl, 3-Methyl-4-nitro-1,1'-biphenyl, 2-methyl-1-nitro-4-phenylbenzene, N-(2-Pentynyl)phthalimide
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 69314-47-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC=CC=C2)[N+](=O)[O-] |
| InChIKey | JQYNLODZQDADHW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-nitrobiphenyl (CAS 69314-47-2), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: 2-methyl-1-nitro-4-phenylbenzene.
Chemical Property Profile of 3-Methyl-4-nitrobiphenyl
Property Insights of 3-Methyl-4-nitrobiphenyl
The XLogP value of 3.7 indicates that 3-Methyl-4-nitrobiphenyl 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-Methyl-4-nitrobiphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-nitrobiphenyl 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-Methyl-4-nitrobiphenyl?
The CAS number of 3-Methyl-4-nitrobiphenyl is 69314-47-2.
What is the molecular formula of 3-Methyl-4-nitrobiphenyl?
The molecular formula of 3-Methyl-4-nitrobiphenyl is C13H11NO2.
What is the molecular weight of 3-Methyl-4-nitrobiphenyl?
The molecular weight of 3-Methyl-4-nitrobiphenyl is 213.08 g/mol.
Where can I buy 3-Methyl-4-nitrobiphenyl?
You can request a quote for 3-Methyl-4-nitrobiphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-nitrobiphenyl?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitrobiphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.