3-(3,4-Dimethoxy-phenyl)-propynoic acid
TL;DR: 3-(3,4-Dimethoxy-phenyl)-propynoic acid (CAS 22511-06-4) is a chemical compound with molecular formula C11H10O4 and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)prop-2-ynoic acid
Also Known As: 3-(3,4-Dimethoxyphenyl)propiolic acid, 3-(3,4-dimethoxyphenyl)prop-2-ynoic Acid, (3,4-Dimethoxy-phenyl)-propynoic acid, 3,4-Dimethoxyphenylpropiolic acid, 3-(3,4-DIMETHOXY-PHENYL)-PROPYNOIC ACID
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.1399 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 425.94943 |
Chemical Identifiers
| CAS Number | 22511-06-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#CC(=O)O)OC |
Product Overview
3-(3,4-Dimethoxy-phenyl)-propynoic acid (CAS 22511-06-4), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)prop-2-ynoic acid.
Chemical Property Profile of 3-(3,4-Dimethoxy-phenyl)-propynoic acid
Property Insights of 3-(3,4-Dimethoxy-phenyl)-propynoic acid
The XLogP value of 1.1399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3,4-Dimethoxy-phenyl)-propynoic acid. With a topological polar surface area (TPSA) of 55.76 Ų, 3-(3,4-Dimethoxy-phenyl)-propynoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-Dimethoxy-phenyl)-propynoic acid has 1 hydrogen bond donor(s) and 3 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-(3,4-Dimethoxy-phenyl)-propynoic acid?
The CAS number of 3-(3,4-Dimethoxy-phenyl)-propynoic acid is 22511-06-4.
What is the molecular formula of 3-(3,4-Dimethoxy-phenyl)-propynoic acid?
The molecular formula of 3-(3,4-Dimethoxy-phenyl)-propynoic acid is C11H10O4.
What is the molecular weight of 3-(3,4-Dimethoxy-phenyl)-propynoic acid?
The molecular weight of 3-(3,4-Dimethoxy-phenyl)-propynoic acid is 206.06 g/mol.
Where can I buy 3-(3,4-Dimethoxy-phenyl)-propynoic acid?
You can request a quote for 3-(3,4-Dimethoxy-phenyl)-propynoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3,4-Dimethoxy-phenyl)-propynoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,4-Dimethoxy-phenyl)-propynoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.