3-(2-(Acetyloxy)phenyl)-2-propenoic acid
TL;DR: 3-(2-(Acetyloxy)phenyl)-2-propenoic acid (CAS 16189-10-9) 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.
(E)-3-(2-acetyloxyphenyl)prop-2-enoic acid
Also Known As: 2-Acetoxycinnamic acid, Tylmarin, 2-Acetylcoumaric acid, o-Acetoxycinnamic acid, O-Acetyl-o-coumaric acid
| Molecular Formula | C11H10O4 |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 1.7097 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 206.0579 |
| Heavy Atoms | 15 |
| Complexity | 406.80386 |
Chemical Identifiers
| CAS Number | 16189-10-9 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1/C=C/C(=O)O |
Product Overview
3-(2-(Acetyloxy)phenyl)-2-propenoic acid (CAS 16189-10-9), with molecular formula C11H10O4 and molecular weight 206.06 g/mol. IUPAC: (E)-3-(2-acetyloxyphenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(2-(Acetyloxy)phenyl)-2-propenoic acid
Property Insights of 3-(2-(Acetyloxy)phenyl)-2-propenoic acid
The XLogP value of 1.7097 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-(Acetyloxy)phenyl)-2-propenoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-(Acetyloxy)phenyl)-2-propenoic acid. Following Lipinski's Rule of Five, 3-(2-(Acetyloxy)phenyl)-2-propenoic 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-(2-(Acetyloxy)phenyl)-2-propenoic acid?
The CAS number of 3-(2-(Acetyloxy)phenyl)-2-propenoic acid is 16189-10-9.
What is the molecular formula of 3-(2-(Acetyloxy)phenyl)-2-propenoic acid?
The molecular formula of 3-(2-(Acetyloxy)phenyl)-2-propenoic acid is C11H10O4.
What is the molecular weight of 3-(2-(Acetyloxy)phenyl)-2-propenoic acid?
The molecular weight of 3-(2-(Acetyloxy)phenyl)-2-propenoic acid is 206.06 g/mol.
Where can I buy 3-(2-(Acetyloxy)phenyl)-2-propenoic acid?
You can request a quote for 3-(2-(Acetyloxy)phenyl)-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-(Acetyloxy)phenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-(Acetyloxy)phenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.