2-Methyl-3-(4-nitrophenyl)propenal
TL;DR: 2-Methyl-3-(4-nitrophenyl)propenal (CAS 656232-74-5) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(4-nitrophenyl)prop-2-enal
Also Known As: 2-methyl-3-(4-nitrophenyl)prop-2-enal, 2-Methyl-3-(4-nitrophenyl)propenal, 2-Propenal, 2-methyl-3-(4-nitrophenyl)-, (E)-, 2-Propenal, 2-methyl-3-(4-nitrophenyl)-, (2Z)-
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 656232-74-5 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)[N+](=O)[O-])C=O |
| InChIKey | UTNWCRRIRXIRHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-(4-nitrophenyl)propenal (CAS 656232-74-5), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 2-methyl-3-(4-nitrophenyl)prop-2-enal.
Chemical Property Profile of 2-Methyl-3-(4-nitrophenyl)propenal
Property Insights of 2-Methyl-3-(4-nitrophenyl)propenal
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-(4-nitrophenyl)propenal. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-3-(4-nitrophenyl)propenal. Following Lipinski's Rule of Five, 2-Methyl-3-(4-nitrophenyl)propenal has 0 hydrogen bond donor(s) and 3 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-Methyl-3-(4-nitrophenyl)propenal?
The CAS number of 2-Methyl-3-(4-nitrophenyl)propenal is 656232-74-5.
What is the molecular formula of 2-Methyl-3-(4-nitrophenyl)propenal?
The molecular formula of 2-Methyl-3-(4-nitrophenyl)propenal is C10H9NO3.
What is the molecular weight of 2-Methyl-3-(4-nitrophenyl)propenal?
The molecular weight of 2-Methyl-3-(4-nitrophenyl)propenal is 191.06 g/mol.
Where can I buy 2-Methyl-3-(4-nitrophenyl)propenal?
You can request a quote for 2-Methyl-3-(4-nitrophenyl)propenal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-(4-nitrophenyl)propenal?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(4-nitrophenyl)propenal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.