Benzeneacetic acid, alpha-2-propen-1-yl-
TL;DR: Benzeneacetic acid, alpha-2-propen-1-yl- (CAS 94086-47-2) 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.
2-phenylpent-4-enoic acid
Also Known As: 2-Phenylpent-4-enoic acid, Allylphenylessigsaure, 2-phenylpent-4-enoicacid, 2-phenyl-4-pentenoic acid, 2-phenyl-4-oxopentanoic acid
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 94086-47-2 |
|---|---|
| SMILES | C=CCC(C1=CC=CC=C1)C(=O)O |
| InChIKey | IQZLXJUYCRPXRG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, alpha-2-propen-1-yl- (CAS 94086-47-2), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 2-phenylpent-4-enoic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-2-propen-1-yl-
Property Insights of Benzeneacetic acid, alpha-2-propen-1-yl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, alpha-2-propen-1-yl-. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, alpha-2-propen-1-yl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-2-propen-1-yl- 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 Benzeneacetic acid, alpha-2-propen-1-yl-?
The CAS number of Benzeneacetic acid, alpha-2-propen-1-yl- is 94086-47-2.
What is the molecular formula of Benzeneacetic acid, alpha-2-propen-1-yl-?
The molecular formula of Benzeneacetic acid, alpha-2-propen-1-yl- is C11H12O2.
What is the molecular weight of Benzeneacetic acid, alpha-2-propen-1-yl-?
The molecular weight of Benzeneacetic acid, alpha-2-propen-1-yl- is 176.08 g/mol.
Where can I buy Benzeneacetic acid, alpha-2-propen-1-yl-?
You can request a quote for Benzeneacetic acid, alpha-2-propen-1-yl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-2-propen-1-yl-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-2-propen-1-yl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.