CAS RN: 297731-50-1
1-phenylcyclohexyl methacrylate
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS297731-50-1
- Purity/Analytical Methods: >99.0%
297731-50-1 / (1-phenylcyclohexyl) 2-methylprop-2-enoate
Basic Information
CAS
297731-50-1
Multi CAS
No
Molecular Formula
C16H20O2
Molecular Weight
244.330000
Exact Mass
244.146330
InChI
InChI=1S/C16H20O2/c1-13(2)15(17)18-16(11-7-4-8-12-16)14-9-5-3-6-10-14/h3,5-6,9-10H,1,4,7-8,11-12H2,2H3
InChIKey
FOEQQJNHGXZVLE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
72.11
TPSA
26.3
LogP / Solubility
WLOGP
3.97
MLOGP
3.49
XLogP3
4.2
Consensus LogP
3.89
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.9
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.4
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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