(E)-2-methyl-3-phenylbut-2-enoic acid
TL;DR: (E)-2-methyl-3-phenylbut-2-enoic acid (CAS 708-83-8) 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.
(E)-2-methyl-3-phenylbut-2-enoic acid
Also Known As: (E)-2-methyl-3-phenylbut-2-enoic acid, alpha,beta-Dimethylcinnamic acid, 2-Butenoic acid, 2-methyl-3-phenyl, Cinnamic acid, .alpha.,.beta.-dimethyl-, (2E)-2-methyl-3-phenylbut-2-enoic acid
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.5646 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 336.36774 |
Chemical Identifiers
| CAS Number | 708-83-8 |
|---|---|
| SMILES | C/C(=C(/C)\C(=O)O)/C1=CC=CC=C1 |
Product Overview
(E)-2-methyl-3-phenylbut-2-enoic acid (CAS 708-83-8), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: (E)-2-methyl-3-phenylbut-2-enoic acid.
Chemical Property Profile of (E)-2-methyl-3-phenylbut-2-enoic acid
Property Insights of (E)-2-methyl-3-phenylbut-2-enoic acid
The XLogP value of 2.5646 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-methyl-3-phenylbut-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (E)-2-methyl-3-phenylbut-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-methyl-3-phenylbut-2-enoic acid has 1 hydrogen bond donor(s) and 1 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 (E)-2-methyl-3-phenylbut-2-enoic acid?
The CAS number of (E)-2-methyl-3-phenylbut-2-enoic acid is 708-83-8.
What is the molecular formula of (E)-2-methyl-3-phenylbut-2-enoic acid?
The molecular formula of (E)-2-methyl-3-phenylbut-2-enoic acid is C11H12O2.
What is the molecular weight of (E)-2-methyl-3-phenylbut-2-enoic acid?
The molecular weight of (E)-2-methyl-3-phenylbut-2-enoic acid is 176.08 g/mol.
Where can I buy (E)-2-methyl-3-phenylbut-2-enoic acid?
You can request a quote for (E)-2-methyl-3-phenylbut-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 (E)-2-methyl-3-phenylbut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methyl-3-phenylbut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.