CAS RN: 73522-75-5
(9S)- 10,11-dihydro-Cinchonan-6′,9-diol
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.20260104 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS73522-75-5
- Purity/Analytical Methods: >99.0%
73522-75-5 / 4-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol
Basic Information
CAS
73522-75-5
Multi CAS
Yes
Molecular Formula
C19H24N2O2
Molecular Weight
312.400000
Exact Mass
312.183778
InChI
InChI=1S/C19H24N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h3-5,7,10,12-13,18-19,22-23H,2,6,8-9,11H2,1H3
InChIKey
RASAUPYEBCYZRS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
10
Fraction Csp3
0.53
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.23
TPSA
56.59
LogP / Solubility
WLOGP
3.09
MLOGP
2.74
XLogP3
2.8
Consensus LogP
2.88
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.36
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
8
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