4-Tert-butylphenyl 2-nitrobenzoate
TL;DR: 4-Tert-butylphenyl 2-nitrobenzoate (CAS 433258-67-4) is a chemical compound with molecular formula C17H17NO4 and molecular weight 299.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 2-nitrobenzoate
Also Known As: 4-tert-butylphenyl 2-nitrobenzoate, (4-tert-butylphenyl) 2-nitrobenzoate, 4-(tert-butyl)phenyl 2-nitrobenzoate, AN-329/40887396, F3145-1151
| Molecular Formula | C17H17NO4 |
|---|---|
| Molecular Weight | 299.12 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11575 |
| Heavy Atoms | 22 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 433258-67-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | QTZSZXJTBFBULM-UHFFFAOYSA-N |
Product Overview
4-Tert-butylphenyl 2-nitrobenzoate (CAS 433258-67-4), with molecular formula C17H17NO4 and molecular weight 299.12 g/mol. IUPAC: (4-tert-butylphenyl) 2-nitrobenzoate.
Chemical Property Profile of 4-Tert-butylphenyl 2-nitrobenzoate
Property Insights of 4-Tert-butylphenyl 2-nitrobenzoate
The XLogP value of 4.9 indicates that 4-Tert-butylphenyl 2-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 4-Tert-butylphenyl 2-nitrobenzoate. Following Lipinski's Rule of Five, 4-Tert-butylphenyl 2-nitrobenzoate has 0 hydrogen bond donor(s) and 4 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 4-Tert-butylphenyl 2-nitrobenzoate?
The CAS number of 4-Tert-butylphenyl 2-nitrobenzoate is 433258-67-4.
What is the molecular formula of 4-Tert-butylphenyl 2-nitrobenzoate?
The molecular formula of 4-Tert-butylphenyl 2-nitrobenzoate is C17H17NO4.
What is the molecular weight of 4-Tert-butylphenyl 2-nitrobenzoate?
The molecular weight of 4-Tert-butylphenyl 2-nitrobenzoate is 299.12 g/mol.
Where can I buy 4-Tert-butylphenyl 2-nitrobenzoate?
You can request a quote for 4-Tert-butylphenyl 2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Tert-butylphenyl 2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylphenyl 2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.