2-氰基-3-(4-硝基苯基)丙烯酸甲酯
TL;DR: 2-氰基-3-(4-硝基苯基)丙烯酸甲酯 (CAS 62985-31-3) is a chemical compound with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氰基-3-(4-硝基苯基)丙烯酸甲酯
methyl 2-cyano-3-(4-nitrophenyl)prop-2-enoate
Also Known As: methyl 2-cyano-3-(4-nitrophenyl)prop-2-enoate, methyl 2-cyano-3-(4-nitrophenyl)acrylate, methyl-2-cyano-3-(4-nitrophenyl)acrylate, 2-cyano-3-(4-nitro-phenyl)-acrylic acid methyl ester, 2-Propenoic acid, 2-cyano-3-(4-nitrophenyl)-, methyl ester, (2E)-
| Molecular Formula | C11H8N2O4 |
|---|---|
| Molecular Weight | 232.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 95.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0484 |
| Heavy Atoms | 17 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 62985-31-3 |
|---|---|
| SMILES | COC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C#N |
| InChIKey | ASMATNCOGPXLKV-UHFFFAOYSA-N |
Product Overview
2-氰基-3-(4-硝基苯基)丙烯酸甲酯 (CAS 62985-31-3), with molecular formula C11H8N2O4 and molecular weight 232.05 g/mol. IUPAC: methyl 2-cyano-3-(4-nitrophenyl)prop-2-enoate.
Chemical Property Profile of 2-氰基-3-(4-硝基苯基)丙烯酸甲酯
Property Insights of 2-氰基-3-(4-硝基苯基)丙烯酸甲酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氰基-3-(4-硝基苯基)丙烯酸甲酯. The TPSA of 95.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-氰基-3-(4-硝基苯基)丙烯酸甲酯. Following Lipinski's Rule of Five, 2-氰基-3-(4-硝基苯基)丙烯酸甲酯 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 2-氰基-3-(4-硝基苯基)丙烯酸甲酯?
The CAS number of 2-氰基-3-(4-硝基苯基)丙烯酸甲酯 is 62985-31-3.
What is the molecular formula of 2-氰基-3-(4-硝基苯基)丙烯酸甲酯?
The molecular formula of 2-氰基-3-(4-硝基苯基)丙烯酸甲酯 is C11H8N2O4.
What is the molecular weight of 2-氰基-3-(4-硝基苯基)丙烯酸甲酯?
The molecular weight of 2-氰基-3-(4-硝基苯基)丙烯酸甲酯 is 232.05 g/mol.
Where can I buy 2-氰基-3-(4-硝基苯基)丙烯酸甲酯?
You can request a quote for 2-氰基-3-(4-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 2-氰基-3-(4-硝基苯基)丙烯酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2-氰基-3-(4-硝基苯基)丙烯酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.