CAS RN: 78916-49-1
3,5-Dimethoxystilbene
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
- Product code: ICTD2592
- Purity/Analytical Methods: >98.0%(GC)
78916-49-1 / 1,3-dimethoxy-5-(2-phenylethenyl)benzene
Basic Information
CAS
78916-49-1
Multi CAS
Yes
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
InChI
InChI=1S/C16H16O2/c1-17-15-10-14(11-16(12-15)18-2)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKey
BIYGTLDPTJMNET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
74.92
TPSA
18.46
LogP / Solubility
WLOGP
3.87
MLOGP
3.41
XLogP3
4.1
Consensus LogP
3.79
Log S (ESOL)
-4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.92
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)
-1.44
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
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