2,3-Diphenylpropyl 4-nitrobenzoate
TL;DR: 2,3-Diphenylpropyl 4-nitrobenzoate (CAS 7189-67-5) is a chemical compound with molecular formula C22H19NO4 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diphenylpropyl 4-nitrobenzoate
Also Known As: 2,3-diphenylpropyl 4-nitrobenzoate, Benzenepropanol,b-phenyl-,1-(4-nitrobenzoate), Benzenepropanol, b-phenyl-, 1-(4-nitrobenzoate)
| Molecular Formula | C22H19NO4 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.1314 |
| Heavy Atoms | 27 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 7189-67-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3 |
| InChIKey | MLAWFYAMSSNCKR-UHFFFAOYSA-N |
Product Overview
2,3-Diphenylpropyl 4-nitrobenzoate (CAS 7189-67-5), with molecular formula C22H19NO4 and molecular weight 361.13 g/mol. IUPAC: 2,3-diphenylpropyl 4-nitrobenzoate.
Chemical Property Profile of 2,3-Diphenylpropyl 4-nitrobenzoate
Property Insights of 2,3-Diphenylpropyl 4-nitrobenzoate
The XLogP value of 5.3 indicates that 2,3-Diphenylpropyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Diphenylpropyl 4-nitrobenzoate. Following Lipinski's Rule of Five, 2,3-Diphenylpropyl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Diphenylpropyl 4-nitrobenzoate?
The CAS number of 2,3-Diphenylpropyl 4-nitrobenzoate is 7189-67-5.
What is the molecular formula of 2,3-Diphenylpropyl 4-nitrobenzoate?
The molecular formula of 2,3-Diphenylpropyl 4-nitrobenzoate is C22H19NO4.
What is the molecular weight of 2,3-Diphenylpropyl 4-nitrobenzoate?
The molecular weight of 2,3-Diphenylpropyl 4-nitrobenzoate is 361.13 g/mol.
Where can I buy 2,3-Diphenylpropyl 4-nitrobenzoate?
You can request a quote for 2,3-Diphenylpropyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Diphenylpropyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Diphenylpropyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.