CAS RN: 53761-76-5
POLY(T-BUTYL METHACRYLATE)-B-POLY(4-VINYL PYRIDINE)
Product Availability
Available package options are listed below.
2 package records2 with current stock
- Product code: starshine_CAS53761-76-5
- Purity/Analytical Methods: >99.0%
53761-76-5 / butyl 2,2-dimethyl-4-pyridin-4-ylhexanoate
Basic Information
CAS
53761-76-5
Multi CAS
No
Molecular Formula
C17H27NO2
Molecular Weight
277.400000
Exact Mass
277.204179
InChI
InChI=1S/C8H14O2.C7H7N/c1-4-5-6-10-8(9)7(2)3;1-2-7-3-5-8-6-4-7/h2,4-6H2,1,3H3;2-6H,1H2
InChIKey
CBBZCNWNEFEHRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
81.53
TPSA
39.19
LogP / Solubility
WLOGP
4.33
MLOGP
3.82
XLogP3
4.3
Consensus LogP
4.15
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.96
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.02
Class (SILICOS-IT)
Insoluble
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)
-1.33
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
2
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