CAS RN: 9050-06-0
POLY(VINYL CINNAMATE)
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS9050-06-0
- Purity/Analytical Methods: >99.0%
9050-06-0 / ethenol;3-phenylprop-2-enoic acid
Basic Information
CAS
9050-06-0
Multi CAS
Yes
Molecular Formula
C11H12O3
Molecular Weight
192.210000
Exact Mass
192.078644
InChI
InChI=1S/C9H8O2.C2H4O/c10-9(11)7-6-8-4-2-1-3-5-8;1-2-3/h1-7H,(H,10,11);2-3H,1H2
InChIKey
HCCVHWNULIPQNY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.94
TPSA
57.53
LogP / Solubility
WLOGP
2.47
MLOGP
2.17
XLogP3
2.47
Consensus LogP
2.37
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
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)
-2.14
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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