CAS RN: 529-86-2
Anthracen-9-ol
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: starshine_CAS529-86-2
- Purity/Analytical Methods: >99.0%
529-86-2 / anthracen-9-ol
Basic Information
CAS
529-86-2
Multi CAS
No
Molecular Formula
C14H10O
Molecular Weight
194.230000
Exact Mass
194.073165
InChI
InChI=1S/C14H10O/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9,15H
InChIKey
AUKRYONWZHRJRE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
H-bond acceptors
1
H-bond donors
1
Molar refractivity
63.12
TPSA
20.23
LogP / Solubility
WLOGP
3.7
MLOGP
3.25
XLogP3
4.2
Consensus LogP
3.72
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.99
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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