Mesityl-propiolic acid
TL;DR: Mesityl-propiolic acid (CAS 408511-61-5) is a chemical compound with molecular formula C12H12O2 and molecular weight 188.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4,6-trimethylphenyl)prop-2-ynoic acid
Also Known As: Mesityl-propiolic acid, 3-Mesitylpropiolic acid, 3-(2,4,6-trimethylphenyl)prop-2-ynoic acid
| Molecular Formula | C12H12O2 |
|---|---|
| Molecular Weight | 188.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.08372 |
| Heavy Atoms | 14 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 408511-61-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C#CC(=O)O)C |
| InChIKey | RCDFGZLJNAKRKC-UHFFFAOYSA-N |
Product Overview
Mesityl-propiolic acid (CAS 408511-61-5), with molecular formula C12H12O2 and molecular weight 188.08 g/mol. IUPAC: 3-(2,4,6-trimethylphenyl)prop-2-ynoic acid.
Chemical Property Profile of Mesityl-propiolic acid
Property Insights of Mesityl-propiolic acid
The XLogP value of 3.1 indicates that Mesityl-propiolic 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, Mesityl-propiolic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Mesityl-propiolic 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 Mesityl-propiolic acid?
The CAS number of Mesityl-propiolic acid is 408511-61-5.
What is the molecular formula of Mesityl-propiolic acid?
The molecular formula of Mesityl-propiolic acid is C12H12O2.
What is the molecular weight of Mesityl-propiolic acid?
The molecular weight of Mesityl-propiolic acid is 188.08 g/mol.
Where can I buy Mesityl-propiolic acid?
You can request a quote for Mesityl-propiolic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesityl-propiolic acid?
Yes, KEHONG BIO provides custom synthesis services for Mesityl-propiolic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.