CAS RN: 1430820-98-6
(9R)-9-aMino-10,11-dihydro-Cinchonan-6′-ol
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.20260130 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1430820-98-6
- Purity/Analytical Methods: >99.0%
1430820-98-6 / 4-[(R)-amino-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methyl]quinolin-6-ol
Basic Information
CAS
1430820-98-6
Multi CAS
No
Molecular Formula
C19H25N3O
Molecular Weight
311.400000
Exact Mass
311.199762
SMILES
CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)O)N
InChI
InChI=1S/C19H25N3O/c1-2-12-11-22-8-6-13(12)9-18(22)19(20)15-5-7-21-17-4-3-14(23)10-16(15)17/h3-5,7,10,12-13,18-19,23H,2,6,8-9,11,20H2,1H3/t12-,13-,18+,19+/m0/s1
InChIKey
QHMRRVJBFLHQNO-MBZVMHRFSA-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
92.2
TPSA
62.38
LogP / Solubility
WLOGP
3.06
MLOGP
2.71
XLogP3
2.5
Consensus LogP
2.76
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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)
-2.45
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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