4-Tert-butylphenyl (4-nitrophenoxy)acetate
TL;DR: 4-Tert-butylphenyl (4-nitrophenoxy)acetate (CAS 433318-74-2) is a chemical compound with molecular formula C18H19NO5 and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl) 2-(4-nitrophenoxy)acetate
Also Known As: 4-tert-butylphenyl (4-nitrophenoxy)acetate, 4-tert-butylphenyl {4-nitrophenoxy}acetate, (4-tert-butylphenyl) 2-(4-nitrophenoxy)acetate, 4-(tert-butyl)phenyl 2-(4-nitrophenoxy)acetate, AN-329/40714501
| Molecular Formula | C18H19NO5 |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 329.1263 |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 433318-74-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC(=O)COC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | RCWLRNZBAYAJQH-UHFFFAOYSA-N |
Product Overview
4-Tert-butylphenyl (4-nitrophenoxy)acetate (CAS 433318-74-2), with molecular formula C18H19NO5 and molecular weight 329.13 g/mol. IUPAC: (4-tert-butylphenyl) 2-(4-nitrophenoxy)acetate.
Chemical Property Profile of 4-Tert-butylphenyl (4-nitrophenoxy)acetate
Property Insights of 4-Tert-butylphenyl (4-nitrophenoxy)acetate
The XLogP value of 4.9 indicates that 4-Tert-butylphenyl (4-nitrophenoxy)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Tert-butylphenyl (4-nitrophenoxy)acetate. Following Lipinski's Rule of Five, 4-Tert-butylphenyl (4-nitrophenoxy)acetate has 0 hydrogen bond donor(s) and 5 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 (4-nitrophenoxy)acetate?
The CAS number of 4-Tert-butylphenyl (4-nitrophenoxy)acetate is 433318-74-2.
What is the molecular formula of 4-Tert-butylphenyl (4-nitrophenoxy)acetate?
The molecular formula of 4-Tert-butylphenyl (4-nitrophenoxy)acetate is C18H19NO5.
What is the molecular weight of 4-Tert-butylphenyl (4-nitrophenoxy)acetate?
The molecular weight of 4-Tert-butylphenyl (4-nitrophenoxy)acetate is 329.13 g/mol.
Where can I buy 4-Tert-butylphenyl (4-nitrophenoxy)acetate?
You can request a quote for 4-Tert-butylphenyl (4-nitrophenoxy)acetate 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 (4-nitrophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Tert-butylphenyl (4-nitrophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.