CAS RN: 71036-28-7
anthrol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260429 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS71036-28-7
- Purity/Analytical Methods: >99.0%
71036-28-7 / anthracen-1-ol
Basic Information
CAS
71036-28-7
Multi CAS
Yes
Molecular Formula
C14H10O
Molecular Weight
194.230000
Exact Mass
194.073165
InChI
InChI=1S/C14H10O/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,15H
InChIKey
MUVQKFGNPGZBII-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
4.1
Consensus LogP
3.68
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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