4-Methyl-2-nitro-1,1'-biphenyl
TL;DR: 4-Methyl-2-nitro-1,1'-biphenyl (CAS 39554-87-5) 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.
4-methyl-2-nitro-1-phenylbenzene
Also Known As: 2-Nitro-4-methylbiphenyl, 3-nitro-4-phenyltoluene, 4-Methyl-2-nitro-biphenyl, 4-Methyl-2-nitro-1,1'-biphenyl, 4-Methyl-2-nitrobiphenyl
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 3.57022 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 520.71075 |
Chemical Identifiers
| CAS Number | 39554-87-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
4-Methyl-2-nitro-1,1'-biphenyl (CAS 39554-87-5), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: 4-methyl-2-nitro-1-phenylbenzene.
Chemical Property Profile of 4-Methyl-2-nitro-1,1'-biphenyl
Property Insights of 4-Methyl-2-nitro-1,1'-biphenyl
The XLogP value of 3.57022 indicates that 4-Methyl-2-nitro-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.14 Ų, 4-Methyl-2-nitro-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-2-nitro-1,1'-biphenyl 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-Methyl-2-nitro-1,1'-biphenyl?
The CAS number of 4-Methyl-2-nitro-1,1'-biphenyl is 39554-87-5.
What is the molecular formula of 4-Methyl-2-nitro-1,1'-biphenyl?
The molecular formula of 4-Methyl-2-nitro-1,1'-biphenyl is C13H11NO2.
What is the molecular weight of 4-Methyl-2-nitro-1,1'-biphenyl?
The molecular weight of 4-Methyl-2-nitro-1,1'-biphenyl is 213.08 g/mol.
Where can I buy 4-Methyl-2-nitro-1,1'-biphenyl?
You can request a quote for 4-Methyl-2-nitro-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-nitro-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-nitro-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.