1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-
TL;DR: 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- (CAS 28442-37-7) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(4-methyl-3-nitrophenyl)-2-nitrobenzene
Also Known As: 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-, 1-methyl-4-(4-methyl-3-nitrophenyl)-2-nitrobenzene, 4,4'-dimethyl-3,3'-dinitro-1,1'-biphenyl, 3,3 -Dinitro-4,4 -dimethylbiphenyl, J2.127.466F
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.78684 |
| Topological Polar Surface Area | 86.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 648.81525 |
Chemical Identifiers
| CAS Number | 28442-37-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- (CAS 28442-37-7), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 1-methyl-4-(4-methyl-3-nitrophenyl)-2-nitrobenzene.
Chemical Property Profile of 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-
Property Insights of 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-
The XLogP value of 3.78684 indicates that 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-. Following Lipinski's Rule of Five, 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- has 0 hydrogen bond donor(s) and 4 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 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-?
The CAS number of 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- is 28442-37-7.
What is the molecular formula of 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-?
The molecular formula of 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- is C14H12N2O4.
What is the molecular weight of 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-?
The molecular weight of 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- is 272.08 g/mol.
Where can I buy 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-?
You can request a quote for 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Biphenyl, 4,4'-dimethyl-3,3'-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.