4-Methyl-2-nitrophenyl acetate
TL;DR: 4-Methyl-2-nitrophenyl acetate (CAS 54646-55-8) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-nitrophenyl) acetate
Also Known As: 4-Methyl-2-nitrophenyl acetate, (4-methyl-2-nitrophenyl) acetate, 4-Methyl-2-nitrophenyl acetate #, Phenol, 4-methyl-2-nitro-, acetate (ester)
| Molecular Formula | C9H9NO4 |
|---|---|
| Molecular Weight | 195.05 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.05316 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 54646-55-8 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C)[N+](=O)[O-] |
| InChIKey | XYPXZTXAYASBSV-UHFFFAOYSA-N |
Product Overview
4-Methyl-2-nitrophenyl acetate (CAS 54646-55-8), with molecular formula C9H9NO4 and molecular weight 195.05 g/mol. IUPAC: (4-methyl-2-nitrophenyl) acetate.
Chemical Property Profile of 4-Methyl-2-nitrophenyl acetate
Property Insights of 4-Methyl-2-nitrophenyl acetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-2-nitrophenyl acetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-2-nitrophenyl acetate. Following Lipinski's Rule of Five, 4-Methyl-2-nitrophenyl acetate 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-Methyl-2-nitrophenyl acetate?
The CAS number of 4-Methyl-2-nitrophenyl acetate is 54646-55-8.
What is the molecular formula of 4-Methyl-2-nitrophenyl acetate?
The molecular formula of 4-Methyl-2-nitrophenyl acetate is C9H9NO4.
What is the molecular weight of 4-Methyl-2-nitrophenyl acetate?
The molecular weight of 4-Methyl-2-nitrophenyl acetate is 195.05 g/mol.
Where can I buy 4-Methyl-2-nitrophenyl acetate?
You can request a quote for 4-Methyl-2-nitrophenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-2-nitrophenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-2-nitrophenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.