2,2-Diphenylethyl 3,5-dinitrobenzoate
TL;DR: 2,2-Diphenylethyl 3,5-dinitrobenzoate (CAS 7475-76-5) is a chemical compound with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diphenylethyl 3,5-dinitrobenzoate
Also Known As: 2,2-diphenylethyl 3,5-dinitrobenzoate
| Molecular Formula | C21H16N2O6 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.10083 |
| Heavy Atoms | 29 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 7475-76-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(COC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | LDYMMDNLSXXRPV-UHFFFAOYSA-N |
Product Overview
2,2-Diphenylethyl 3,5-dinitrobenzoate (CAS 7475-76-5), with molecular formula C21H16N2O6 and molecular weight 392.10 g/mol. IUPAC: 2,2-diphenylethyl 3,5-dinitrobenzoate.
Chemical Property Profile of 2,2-Diphenylethyl 3,5-dinitrobenzoate
Property Insights of 2,2-Diphenylethyl 3,5-dinitrobenzoate
The XLogP value of 4.8 indicates that 2,2-Diphenylethyl 3,5-dinitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Diphenylethyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, 2,2-Diphenylethyl 3,5-dinitrobenzoate has 0 hydrogen bond donor(s) and 6 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 2,2-Diphenylethyl 3,5-dinitrobenzoate?
The CAS number of 2,2-Diphenylethyl 3,5-dinitrobenzoate is 7475-76-5.
What is the molecular formula of 2,2-Diphenylethyl 3,5-dinitrobenzoate?
The molecular formula of 2,2-Diphenylethyl 3,5-dinitrobenzoate is C21H16N2O6.
What is the molecular weight of 2,2-Diphenylethyl 3,5-dinitrobenzoate?
The molecular weight of 2,2-Diphenylethyl 3,5-dinitrobenzoate is 392.10 g/mol.
Where can I buy 2,2-Diphenylethyl 3,5-dinitrobenzoate?
You can request a quote for 2,2-Diphenylethyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Diphenylethyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Diphenylethyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.