![CAS 72224-22-7 2-[4-(prop-2-en-1-yloxy)phenyl]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72224-22-7.gif)
CAS RN: 72224-22-7
2-[4-(prop-2-en-1-yloxy)phenyl]acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250613 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72224-22-7
- Purity/Analytical Methods: >99.0%
72224-22-7 / 2-(4-prop-2-enoxyphenyl)acetic acid
Basic Information
CAS
72224-22-7
Multi CAS
No
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C11H12O3/c1-2-7-14-10-5-3-9(4-6-10)8-11(12)13/h2-6H,1,7-8H2,(H,12,13)
InChIKey
DBVOADYMWPGUPF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.47
TPSA
46.53
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
2.1
Consensus LogP
1.88
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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