CAS RN: 151539-67-2
(E)-4-Propoxycinnamic 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.20250702 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTP1898
- Purity/Analytical Methods: >97.0%(GC)(T)
151539-67-2 / (E)-3-(4-propoxyphenyl)prop-2-enoic acid
Basic Information
CAS
151539-67-2
Multi CAS
No
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
SMILES
CCCOC1=CC=C(C=C1)/C=C/C(=O)O
InChI
InChI=1S/C12H14O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-8H,2,9H2,1H3,(H,13,14)/b8-5+
InChIKey
WTYNDSOJMSGRQV-VMPITWQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
58.9
TPSA
46.53
LogP / Solubility
WLOGP
2.57
MLOGP
2.27
XLogP3
2.7
Consensus LogP
2.51
Log S (ESOL)
-2.71
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.11
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.74
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)
-2.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
Customers Also Viewed
-
-
-
-
-
-
2-(3-Ethoxy-4-ethoxycarbonylphenyl)acetic Acid
- CAS RN: 99469-99-5
- Product Code: SSC-213191
