alpha-Methyl-4-nitrocinnamic acid
TL;DR: alpha-Methyl-4-nitrocinnamic acid (CAS 949-98-4) 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.
2-methyl-3-(4-nitrophenyl)prop-2-enoic acid
Also Known As: alpha-Methyl-4-nitrocinnamic acid, 2-Methyl-3-(4-nitrophenyl)acrylic acid, 3-(4-nitrophenyl)-2-methylacrylic acid, 2-methyl-3-(4-nitrophenyl)prop-2-enoic acid, 2-Propenoic acid, 2-methyl-3-(4-nitrophenyl)-
| Molecular Formula | C10H9NO4 |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.05316 |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 949-98-4 |
|---|---|
| SMILES | CC(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O |
| InChIKey | AWWVCUPVXCDDHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Methyl-4-nitrocinnamic acid (CAS 949-98-4), with molecular formula C10H9NO4 and molecular weight 207.05 g/mol. IUPAC: 2-methyl-3-(4-nitrophenyl)prop-2-enoic acid.
Chemical Property Profile of alpha-Methyl-4-nitrocinnamic acid
Property Insights of alpha-Methyl-4-nitrocinnamic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Methyl-4-nitrocinnamic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Methyl-4-nitrocinnamic acid. Following Lipinski's Rule of Five, alpha-Methyl-4-nitrocinnamic acid has 1 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 alpha-Methyl-4-nitrocinnamic acid?
The CAS number of alpha-Methyl-4-nitrocinnamic acid is 949-98-4.
What is the molecular formula of alpha-Methyl-4-nitrocinnamic acid?
The molecular formula of alpha-Methyl-4-nitrocinnamic acid is C10H9NO4.
What is the molecular weight of alpha-Methyl-4-nitrocinnamic acid?
The molecular weight of alpha-Methyl-4-nitrocinnamic acid is 207.05 g/mol.
Where can I buy alpha-Methyl-4-nitrocinnamic acid?
You can request a quote for alpha-Methyl-4-nitrocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Methyl-4-nitrocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Methyl-4-nitrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.