CAS RN: 7501-44-2
Glycidyl Palmitate
Product Availability
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2 package records2 with current stock1 grade group
- Product code: starshine_CAS7501-44-2
- Purity/Analytical Methods: >99.0%
7501-44-2 / oxiran-2-ylmethyl hexadecanoate
Basic Information
CAS
7501-44-2
Multi CAS
No
Molecular Formula
C19H36O3
Molecular Weight
312.500000
Exact Mass
312.266445
InChI
InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)22-17-18-16-21-18/h18H,2-17H2,1H3
InChIKey
KYVUJPJYTYQNGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.95
Rotatable bonds
16
H-bond acceptors
3
Molar refractivity
91.01
TPSA
38.83
LogP / Solubility
WLOGP
5.41
MLOGP
4.77
XLogP3
7.1
Consensus LogP
5.76
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.1
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
