3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate
TL;DR: 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate (CAS 371141-48-9) is a chemical compound with molecular formula C25H20BrNO5 and molecular weight 493.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 5-bromopyridine-3-carboxylate
Also Known As: 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate, AE-641/15339840, [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 5-bromopyridine-3-carboxylate, 3-(4-(tert-butyl)phenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate, 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromopyridine-3-carboxylate
| Molecular Formula | C25H20BrNO5 |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 6.2595 |
| Topological Polar Surface Area | 78.63 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 493.0525 |
| Heavy Atoms | 32 |
| Complexity | 1353.6212 |
Chemical Identifiers
| CAS Number | 371141-48-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C4=CC(=CN=C4)Br |
Product Overview
3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate (CAS 371141-48-9), with molecular formula C25H20BrNO5 and molecular weight 493.05 g/mol. IUPAC: [3-(4-tert-butylphenoxy)-4-oxochromen-7-yl] 5-bromopyridine-3-carboxylate.
Chemical Property Profile of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate
Property Insights of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate
The XLogP value of 6.2595 indicates that 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate. Following Lipinski's Rule of Five, 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate?
The CAS number of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate is 371141-48-9.
What is the molecular formula of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate?
The molecular formula of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate is C25H20BrNO5.
What is the molecular weight of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate?
The molecular weight of 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate is 493.05 g/mol.
Where can I buy 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate?
You can request a quote for 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-butylphenoxy)-4-oxo-4H-chromen-7-yl 5-bromonicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.