3-(2-methylphenyl)but-2-enoic Acid
TL;DR: 3-(2-methylphenyl)but-2-enoic Acid (CAS 100994-10-3) 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)-3-(2-methylphenyl)but-2-enoic acid
Also Known As: 3-(2-methylphenyl)but-2-enoic Acid, 3-(o-Tolyl)but-2-enoic acid, (E)-3-(o-Tolyl)but-2-enoic acid, (2E)-3-(2-methylphenyl)but-2-enoic acid, 3-O-TOLYL-BUT-2-ENOIC ACID
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.48292 |
| 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 | 350.86285 |
Chemical Identifiers
| CAS Number | 100994-10-3 |
|---|---|
| SMILES | CC1=CC=CC=C1/C(=C/C(=O)O)/C |
Product Overview
3-(2-methylphenyl)but-2-enoic Acid (CAS 100994-10-3), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: (E)-3-(2-methylphenyl)but-2-enoic acid.
Chemical Property Profile of 3-(2-methylphenyl)but-2-enoic Acid
Property Insights of 3-(2-methylphenyl)but-2-enoic Acid
The XLogP value of 2.48292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-methylphenyl)but-2-enoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2-methylphenyl)but-2-enoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-methylphenyl)but-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 3-(2-methylphenyl)but-2-enoic Acid?
The CAS number of 3-(2-methylphenyl)but-2-enoic Acid is 100994-10-3.
What is the molecular formula of 3-(2-methylphenyl)but-2-enoic Acid?
The molecular formula of 3-(2-methylphenyl)but-2-enoic Acid is C11H12O2.
What is the molecular weight of 3-(2-methylphenyl)but-2-enoic Acid?
The molecular weight of 3-(2-methylphenyl)but-2-enoic Acid is 176.08 g/mol.
Where can I buy 3-(2-methylphenyl)but-2-enoic Acid?
You can request a quote for 3-(2-methylphenyl)but-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-(2-methylphenyl)but-2-enoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-methylphenyl)but-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.