(1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-
TL;DR: (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- (CAS 63636-76-0) is a chemical compound with molecular formula C13H7N3O8 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitrophenyl)-5-nitrobenzoic acid
Also Known As: 2,4,4'-Trinitro-2'-carboxybiphenyl, 2,4,4'-Trinitrobiphenyl-2'-carboxylic acid, 2',4,4'-trinitro-2-carboxybiphenyl, (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-, 2-(2,4-dinitrophenyl)-5-nitrobenzoic acid
| Molecular Formula | C13H7N3O8 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.02332 |
| Heavy Atoms | 24 |
| Complexity | 537.0 |
Chemical Identifiers
| CAS Number | 63636-76-0 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CXLUUVAWZDNHRL-UHFFFAOYSA-N |
Product Overview
(1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- (CAS 63636-76-0), with molecular formula C13H7N3O8 and molecular weight 333.02 g/mol. IUPAC: 2-(2,4-dinitrophenyl)-5-nitrobenzoic acid.
Chemical Property Profile of (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-
Property Insights of (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-. The TPSA of 175.0 Ų indicates high polarity, suggesting (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- has 1 hydrogen bond donor(s) and 8 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)-2-carboxylic acid, 2',4,4'-trinitro-?
The CAS number of (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- is 63636-76-0.
What is the molecular formula of (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-?
The molecular formula of (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- is C13H7N3O8.
What is the molecular weight of (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-?
The molecular weight of (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- is 333.02 g/mol.
Where can I buy (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro-?
You can request a quote for (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- 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)-2-carboxylic acid, 2',4,4'-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-2-carboxylic acid, 2',4,4'-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.