(4-Nitrophenyl)(pyridin-2-yl)methyl acetate
TL;DR: (4-Nitrophenyl)(pyridin-2-yl)methyl acetate (CAS 964-19-2) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4-nitrophenyl)-pyridin-2-ylmethyl] acetate
Also Known As: (4-Nitrophenyl)(pyridin-2-yl)methyl acetate, [(4-nitrophenyl)-pyridin-2-ylmethyl] acetate
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 964-19-2 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=N2 |
| InChIKey | CUHNQPGPWITLPR-UHFFFAOYSA-N |
Product Overview
(4-Nitrophenyl)(pyridin-2-yl)methyl acetate (CAS 964-19-2), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: [(4-nitrophenyl)-pyridin-2-ylmethyl] acetate.
Chemical Property Profile of (4-Nitrophenyl)(pyridin-2-yl)methyl acetate
Property Insights of (4-Nitrophenyl)(pyridin-2-yl)methyl acetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl)(pyridin-2-yl)methyl acetate. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl)(pyridin-2-yl)methyl acetate. Following Lipinski's Rule of Five, (4-Nitrophenyl)(pyridin-2-yl)methyl 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-Nitrophenyl)(pyridin-2-yl)methyl acetate?
The CAS number of (4-Nitrophenyl)(pyridin-2-yl)methyl acetate is 964-19-2.
What is the molecular formula of (4-Nitrophenyl)(pyridin-2-yl)methyl acetate?
The molecular formula of (4-Nitrophenyl)(pyridin-2-yl)methyl acetate is C14H12N2O4.
What is the molecular weight of (4-Nitrophenyl)(pyridin-2-yl)methyl acetate?
The molecular weight of (4-Nitrophenyl)(pyridin-2-yl)methyl acetate is 272.08 g/mol.
Where can I buy (4-Nitrophenyl)(pyridin-2-yl)methyl acetate?
You can request a quote for (4-Nitrophenyl)(pyridin-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl)(pyridin-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl)(pyridin-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.