2,2-Dimethyl-4-phenylbut-3-enoic acid
TL;DR: 2,2-Dimethyl-4-phenylbut-3-enoic acid (CAS 4405-27-0) 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.
2,2-dimethyl-4-phenylbut-3-enoic acid
Also Known As: 2,2-dimethyl-4-phenylbut-3-enoic acid, 3-Butenoic acid,2,2-dimethyl-4-phenyl-, (E)-2,2-DIMETHYL-4-PHENYL-BUT-3-ENOIC ACID, RefChem:243502
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 3.0 |
| 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 | 222.0 |
Chemical Identifiers
| CAS Number | 4405-27-0 |
|---|---|
| SMILES | CC(C)(C=CC1=CC=CC=C1)C(=O)O |
| InChIKey | AQDYAWVKFNARNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethyl-4-phenylbut-3-enoic acid (CAS 4405-27-0), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: 2,2-dimethyl-4-phenylbut-3-enoic acid.
Chemical Property Profile of 2,2-Dimethyl-4-phenylbut-3-enoic acid
Property Insights of 2,2-Dimethyl-4-phenylbut-3-enoic acid
The XLogP value of 3.0 indicates that 2,2-Dimethyl-4-phenylbut-3-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, 2,2-Dimethyl-4-phenylbut-3-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-4-phenylbut-3-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 2,2-Dimethyl-4-phenylbut-3-enoic acid?
The CAS number of 2,2-Dimethyl-4-phenylbut-3-enoic acid is 4405-27-0.
What is the molecular formula of 2,2-Dimethyl-4-phenylbut-3-enoic acid?
The molecular formula of 2,2-Dimethyl-4-phenylbut-3-enoic acid is C12H14O2.
What is the molecular weight of 2,2-Dimethyl-4-phenylbut-3-enoic acid?
The molecular weight of 2,2-Dimethyl-4-phenylbut-3-enoic acid is 190.10 g/mol.
Where can I buy 2,2-Dimethyl-4-phenylbut-3-enoic acid?
You can request a quote for 2,2-Dimethyl-4-phenylbut-3-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-4-phenylbut-3-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-4-phenylbut-3-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.