3-(3-硝基苯基)丙烯酸甲酯
TL;DR: 3-(3-硝基苯基)丙烯酸甲酯 (CAS 659-04-1) is a chemical compound with molecular formula C10H9NO4 and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-硝基苯基)丙烯酸甲酯
methyl 3-(3-nitrophenyl)prop-2-enoate
Also Known As: methyl m-nitrocinnamate, Methyl (E)-m-nitrocinnamate, (E)-methyl 3-(3-nitrophenyl)acrylate, methyl 3-(3-nitrophenyl)prop-2-enoate, 3-(3-Nitrophenyl)acrylic acid methyl ester
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 659-04-1 |
|---|---|
| SMILES | COC(=O)C=CC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | DKQXESBKFCYESZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(3-硝基苯基)丙烯酸甲酯 (CAS 659-04-1), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: methyl 3-(3-nitrophenyl)prop-2-enoate.
Chemical Property Profile of 3-(3-硝基苯基)丙烯酸甲酯
Property Insights of 3-(3-硝基苯基)丙烯酸甲酯
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-硝基苯基)丙烯酸甲酯. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-硝基苯基)丙烯酸甲酯. Following Lipinski's Rule of Five, 3-(3-硝基苯基)丙烯酸甲酯 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-硝基苯基)丙烯酸甲酯?
The CAS number of 3-(3-硝基苯基)丙烯酸甲酯 is 659-04-1.
What is the molecular formula of 3-(3-硝基苯基)丙烯酸甲酯?
The molecular formula of 3-(3-硝基苯基)丙烯酸甲酯 is C10H9NO4.
What is the molecular weight of 3-(3-硝基苯基)丙烯酸甲酯?
The molecular weight of 3-(3-硝基苯基)丙烯酸甲酯 is 207.05 g/mol.
Where can I buy 3-(3-硝基苯基)丙烯酸甲酯?
You can request a quote for 3-(3-硝基苯基)丙烯酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-硝基苯基)丙烯酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-硝基苯基)丙烯酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.