CAS RN: 6759-80-4
CHEMBRDG-BB 5175126
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260514 | 2g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6759-80-4
- Purity/Analytical Methods: >99.0%
6759-80-4 / 2,5,7-trimethylquinolin-8-ol
Basic Information
CAS
6759-80-4
Multi CAS
Yes
Molecular Formula
C12H13NO
Molecular Weight
187.240000
Exact Mass
187.099714
InChI
InChI=1S/C12H13NO/c1-7-6-8(2)12(14)11-10(7)5-4-9(3)13-11/h4-6,14H,1-3H3
InChIKey
UPPOGIWKARTVGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
10
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.62
TPSA
33.12
LogP / Solubility
WLOGP
2.87
MLOGP
2.52
XLogP3
3
Consensus LogP
2.8
Log S (ESOL)
-3.33
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
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)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 6760-43-6 (1s,5s)-9-azabicyclo[3.3.1]nonane hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6760-43-6.gif)
