2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate
TL;DR: 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate (CAS 423151-94-4) is a chemical compound with molecular formula C20H17NO6 and molecular weight 367.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate
Also Known As: BIM-0035319.P001, 2-(4-nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate, [2-(4-nitrophenyl)-2-oxoethyl] 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate
| Molecular Formula | C20H17NO6 |
|---|---|
| Molecular Weight | 367.11 g/mol |
| LogP | 2.7569 |
| Topological Polar Surface Area | 106.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.1056 |
| Heavy Atoms | 27 |
| Complexity | 912.1748 |
Chemical Identifiers
| CAS Number | 423151-94-4 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O |
Product Overview
2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate (CAS 423151-94-4), with molecular formula C20H17NO6 and molecular weight 367.11 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 4-(3-hydroxy-3-methylbut-1-ynyl)benzoate.
Chemical Property Profile of 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate
Property Insights of 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate
The XLogP value of 2.7569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate. The TPSA of 106.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate has 1 hydrogen bond donor(s) and 6 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 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate?
The CAS number of 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate is 423151-94-4.
What is the molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate?
The molecular formula of 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate is C20H17NO6.
What is the molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate?
The molecular weight of 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate is 367.11 g/mol.
Where can I buy 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate?
You can request a quote for 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate 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 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-2-oxoethyl 4-(3-hydroxy-3-methylbut-1-yn-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.