![3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate structure](/static/products/114/114430-11-4.png)
3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate
TL;DR: 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate (CAS 114430-11-4) is a chemical compound with molecular formula C12H13NO4 and molecular weight 235.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-3-(3-methylphenyl)-2-nitroprop-2-enyl] acetate
Also Known As: 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate, [(Z)-3-(3-methylphenyl)-2-nitro-prop-2-enyl] Acetate, [(Z)-3-(3-methylphenyl)-2-nitroprop-2-enyl] acetate, 2-Propen-1-ol, 3-(3-methylphenyl)-2-nitro-, acetate (ester)
| Molecular Formula | C12H13NO4 |
|---|---|
| Molecular Weight | 235.08 g/mol |
| LogP | 2.17572 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.08446 |
| Heavy Atoms | 17 |
| Complexity | 465.32837 |
Chemical Identifiers
| CAS Number | 114430-11-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)/C=C(/COC(=O)C)\[N+](=O)[O-] |
Product Overview
3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate (CAS 114430-11-4), with molecular formula C12H13NO4 and molecular weight 235.08 g/mol. IUPAC: [(Z)-3-(3-methylphenyl)-2-nitroprop-2-enyl] acetate.
Chemical Property Profile of 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate
Property Insights of 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate
The XLogP value of 2.17572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate. Following Lipinski's Rule of Five, 3-(3-Methylphenyl)-2-nitroprop-2-enyl] 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 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate?
The CAS number of 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate is 114430-11-4.
What is the molecular formula of 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate?
The molecular formula of 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate is C12H13NO4.
What is the molecular weight of 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate?
The molecular weight of 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate is 235.08 g/mol.
Where can I buy 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate?
You can request a quote for 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methylphenyl)-2-nitroprop-2-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.