2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester
TL;DR: 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester (CAS 53431-72-4) 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.
methyl 2-nitro-3-phenylprop-2-enoate
Also Known As: methyl alpha-nitrocinnamate, methyl 2-nitro-3-phenylprop-2-enoate, DivK1c_005136, methyl 2-nitro-3-phenylacrylate, CDS1_004096
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.4772 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 397.14322 |
Chemical Identifiers
| CAS Number | 53431-72-4 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=CC=C1)[N+](=O)[O-] |
Product Overview
2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester (CAS 53431-72-4), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: methyl 2-nitro-3-phenylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester
Property Insights of 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester
The XLogP value of 1.4772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester 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 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester?
The CAS number of 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester is 53431-72-4.
What is the molecular formula of 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester?
The molecular formula of 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester is C10H9NO4.
What is the molecular weight of 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester?
The molecular weight of 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester is 207.05 g/mol.
Where can I buy 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester?
You can request a quote for 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-nitro-3-phenyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.