CAS RN: 24412-91-7
Octanoic acid glycidyl ester
Product Availability
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2 package records1 with current stock1 grade group
- Product code: starshine_CAS24412-91-7
- Purity/Analytical Methods: >99.0%
24412-91-7 / oxiran-2-ylmethyl octanoate
Basic Information
CAS
24412-91-7
Multi CAS
No
Molecular Formula
C11H20O3
Molecular Weight
200.270000
Exact Mass
200.141245
InChI
InChI=1S/C11H20O3/c1-2-3-4-5-6-7-11(12)14-9-10-8-13-10/h10H,2-9H2,1H3
InChIKey
CCNCFYINOYWDOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.91
Rotatable bonds
8
H-bond acceptors
3
Molar refractivity
54.08
TPSA
38.83
LogP / Solubility
WLOGP
2.29
MLOGP
2.01
XLogP3
2.8
Consensus LogP
2.37
Log S (ESOL)
-2
Class (ESOL)
Soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.82
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)
-2.32
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
2
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