CAS RN: 32468-70-5
9-Anthryl Methacrylate
Product Availability
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4 package records3 with current stock2 grade groups
- Product code: starshine_CAS32468-70-5
- Purity/Analytical Methods: >99.0%
32468-70-5 / anthracen-9-yl 2-methylprop-2-enoate
Basic Information
CAS
32468-70-5
Multi CAS
Yes
Molecular Formula
C18H14O2
Molecular Weight
262.300000
Exact Mass
262.099380
InChI
InChI=1S/C18H14O2/c1-12(2)18(19)20-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-11H,1H2,2H3
InChIKey
OZFRHFIPBWCCMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
81.9
TPSA
26.3
LogP / Solubility
WLOGP
4.47
MLOGP
3.95
XLogP3
5.1
Consensus LogP
4.51
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.32
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)
-1.14
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
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