3-(2,3-Dimethylphenyl)-2-propenoic acid
TL;DR: 3-(2,3-Dimethylphenyl)-2-propenoic acid (CAS 1963-30-0) 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-(2,3-dimethylphenyl)prop-2-enoic acid
Also Known As: starbld0018678, 3-(2,3-DIMETHYLPHENYL)-2-PROPENOIC ACID, (E)-3-(2,3-Dimethylphenyl)acrylic acid, 3-(2,3-dimethylphenyl)prop-2-enoic Acid, (E)-3-(2,3-dimethylphenyl)prop-2-enoic acid
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.40124 |
| 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 | 351.10794 |
Chemical Identifiers
| CAS Number | 1963-30-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)/C=C/C(=O)O)C |
Product Overview
3-(2,3-Dimethylphenyl)-2-propenoic acid (CAS 1963-30-0), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: (E)-3-(2,3-dimethylphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,3-Dimethylphenyl)-2-propenoic acid
Property Insights of 3-(2,3-Dimethylphenyl)-2-propenoic acid
The XLogP value of 2.40124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,3-Dimethylphenyl)-2-propenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(2,3-Dimethylphenyl)-2-propenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,3-Dimethylphenyl)-2-propenoic 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-(2,3-Dimethylphenyl)-2-propenoic acid?
The CAS number of 3-(2,3-Dimethylphenyl)-2-propenoic acid is 1963-30-0.
What is the molecular formula of 3-(2,3-Dimethylphenyl)-2-propenoic acid?
The molecular formula of 3-(2,3-Dimethylphenyl)-2-propenoic acid is C11H12O2.
What is the molecular weight of 3-(2,3-Dimethylphenyl)-2-propenoic acid?
The molecular weight of 3-(2,3-Dimethylphenyl)-2-propenoic acid is 176.08 g/mol.
Where can I buy 3-(2,3-Dimethylphenyl)-2-propenoic acid?
You can request a quote for 3-(2,3-Dimethylphenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,3-Dimethylphenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,3-Dimethylphenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.