3-Methyl-2-phenylpent-2-enoic acid
TL;DR: 3-Methyl-2-phenylpent-2-enoic acid (CAS 10457-70-2) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-phenylpent-2-enoic acid
Also Known As: 3-methyl-2-phenylpent-2-enoic acid, (E)-3-methyl-2-phenylpent-2-enoic acid
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 10457-70-2 |
|---|---|
| SMILES | CCC(=C(C1=CC=CC=C1)C(=O)O)C |
| InChIKey | AOCKAGPJEHVOTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2-phenylpent-2-enoic acid (CAS 10457-70-2), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 3-methyl-2-phenylpent-2-enoic acid.
Chemical Property Profile of 3-Methyl-2-phenylpent-2-enoic acid
Property Insights of 3-Methyl-2-phenylpent-2-enoic acid
The XLogP value of 3.3 indicates that 3-Methyl-2-phenylpent-2-enoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyl-2-phenylpent-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2-phenylpent-2-enoic acid has 1 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 3-Methyl-2-phenylpent-2-enoic acid?
The CAS number of 3-Methyl-2-phenylpent-2-enoic acid is 10457-70-2.
What is the molecular formula of 3-Methyl-2-phenylpent-2-enoic acid?
The molecular formula of 3-Methyl-2-phenylpent-2-enoic acid is C12H14O2.
What is the molecular weight of 3-Methyl-2-phenylpent-2-enoic acid?
The molecular weight of 3-Methyl-2-phenylpent-2-enoic acid is 190.10 g/mol.
Where can I buy 3-Methyl-2-phenylpent-2-enoic acid?
You can request a quote for 3-Methyl-2-phenylpent-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2-phenylpent-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2-phenylpent-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.