2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate (CAS 5162-81-2) is a chemical compound with molecular formula C23H27NO5 and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 3,5-ditert-butylbenzoate
Also Known As: 2-(4-nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate, BAS 00203220, [2-(4-nitrophenyl)-2-oxoethyl] 3,5-ditert-butylbenzoate, 2-(4-nitrophenyl)-2-oxoethyl 3,5-bis(tert-butyl)benzoate, A0303/0013843
| Molecular Formula | C23H27NO5 |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 5.2295 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.18893 |
| Heavy Atoms | 29 |
| Complexity | 898.97107 |
Chemical Identifiers
| CAS Number | 5162-81-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate (CAS 5162-81-2), with molecular formula C23H27NO5 and molecular weight 397.19 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 3,5-ditert-butylbenzoate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate
The XLogP value of 5.2295 indicates that 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate is 5162-81-2.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate is C23H27NO5.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate is 397.19 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl 3,5-di-tert-butylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.