(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester
TL;DR: (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester (CAS 74590-04-8) is a chemical compound with molecular formula C16H10N4O12 and molecular weight 450.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2-methoxycarbonyl-4,6-dinitrophenyl)-3,5-dinitrobenzoate
Also Known As: 2-09-00-00663 (Beilstein Handbook Reference), (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester, Dimethyl ester of 2,4,4',6'-tetranitrobiphenyl-2',6-dicarboxylic acid, 4,4',6,6'-Tetranitro-(1,1'-biphenyl)-2,2'-dicarboxylic acid dimethyl ester, dimethyl 4,4',6,6'-tetranitrobiphenyl-2,2'-dicarboxylate
| Molecular Formula | C16H10N4O12 |
|---|---|
| Molecular Weight | 450.03 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.0295 |
| Heavy Atoms | 32 |
| Complexity | 731.0 |
Chemical Identifiers
| CAS Number | 74590-04-8 |
|---|---|
| SMILES | COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)OC |
| InChIKey | DAKJWQDVVRIVKB-UHFFFAOYSA-N |
Product Overview
(1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester (CAS 74590-04-8), with molecular formula C16H10N4O12 and molecular weight 450.03 g/mol. IUPAC: methyl 2-(2-methoxycarbonyl-4,6-dinitrophenyl)-3,5-dinitrobenzoate.
Chemical Property Profile of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester
Property Insights of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester. The TPSA of 236.0 Ų indicates high polarity, suggesting (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester?
The CAS number of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester is 74590-04-8.
What is the molecular formula of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester?
The molecular formula of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester is C16H10N4O12.
What is the molecular weight of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester?
The molecular weight of (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester is 450.03 g/mol.
Where can I buy (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester?
You can request a quote for (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester 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)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,1'-Biphenyl)-2,2'-dicarboxylic acid, 4,4',6,6'-tetranitro-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.