CAS RN: 71144-78-0
(E)-3-Acetoxy-5-methoxystilbene
Product Availability
Choose a grade to view its available package options.
2 package records0 with current stock2 grade groups
- Product code: starshine_CAS71144-78-0
- Purity/Analytical Methods: >99.0%
71144-78-0 / [3-methoxy-5-[(E)-2-phenylethenyl]phenyl] acetate
Basic Information
CAS
71144-78-0
Multi CAS
Yes
Molecular Formula
C17H16O3
Molecular Weight
268.310000
Exact Mass
268.109944
InChI
InChI=1S/C17H16O3/c1-13(18)20-17-11-15(10-16(12-17)19-2)9-8-14-6-4-3-5-7-14/h3-12H,1-2H3/b9-8+
InChIKey
IJXZGYLGHOYXMS-CMDGGOBGSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
79.67
TPSA
35.53
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
3.9
Consensus LogP
3.68
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine
- CAS RN: 71149-52-5
- Product Code: SSC-180809
-
-
-
-
(1R,2S,3S,4S,6R)-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylic Acid
- CAS RN: 71155-07-2
- Product Code: SSC-180816
![CAS 71149-52-5 4-Chloro-2-methyl-1H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71149-52-5.gif)
![CAS 71155-07-2 (1R,2S,3S,4S,6R)-5-Oxotricyclo[2.2.1.02,6]heptane-3-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/71155-07-2.gif)