CAS RN: 506-24-1
Stearolic acid
Product Availability
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3 package records3 with current stock2 grade groups
- Product code: starshine_CAS506-24-1
- Purity/Analytical Methods: >99.0%
506-24-1 / octadec-9-ynoic acid
Basic Information
CAS
506-24-1
Multi CAS
Yes
Molecular Formula
C18H32O2
Molecular Weight
280.400000
Exact Mass
280.240230
InChI
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-8,11-17H2,1H3,(H,19,20)
InChIKey
RGTIBVZDHOMOKC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.83
Rotatable bonds
13
H-bond acceptors
1
H-bond donors
1
Molar refractivity
85.72
TPSA
37.3
LogP / Solubility
WLOGP
5.56
MLOGP
4.9
XLogP3
6.3
Consensus LogP
5.59
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.65
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)
-0.49
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
1.5
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