Methyl 2-methyl-3-phenylprop-2-enoate
TL;DR: Methyl 2-methyl-3-phenylprop-2-enoate (CAS 25692-59-5) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-3-phenylprop-2-enoate
Also Known As: METHYL ALPHA-METHYLCINNAMATE, methyl 2-methyl-3-phenylprop-2-enoate, Methyl 2-methyl-3-phenyl-prop-2-enoate, methyl (Z)-2-methyl-3-phenyl-prop-2-enoate, METHYL (2E)-2-METHYL-3-PHENYLPROP-2-ENOATE
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 25692-59-5 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C(=O)OC |
| InChIKey | QILOUBBQVGUFNG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-methyl-3-phenylprop-2-enoate (CAS 25692-59-5), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: methyl 2-methyl-3-phenylprop-2-enoate.
Chemical Property Profile of Methyl 2-methyl-3-phenylprop-2-enoate
Property Insights of Methyl 2-methyl-3-phenylprop-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-methyl-3-phenylprop-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2-methyl-3-phenylprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-methyl-3-phenylprop-2-enoate has 0 hydrogen bond donor(s) and 2 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 Methyl 2-methyl-3-phenylprop-2-enoate?
The CAS number of Methyl 2-methyl-3-phenylprop-2-enoate is 25692-59-5.
What is the molecular formula of Methyl 2-methyl-3-phenylprop-2-enoate?
The molecular formula of Methyl 2-methyl-3-phenylprop-2-enoate is C11H12O2.
What is the molecular weight of Methyl 2-methyl-3-phenylprop-2-enoate?
The molecular weight of Methyl 2-methyl-3-phenylprop-2-enoate is 176.08 g/mol.
Where can I buy Methyl 2-methyl-3-phenylprop-2-enoate?
You can request a quote for Methyl 2-methyl-3-phenylprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-methyl-3-phenylprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-methyl-3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.