![CAS 220099-91-2 Spiro[1-azabicyclo[2.2.2]octane-3,2′(3’H)-furo[2,3-b]pyridine], (2’R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220099-91-2.gif)
CAS RN: 220099-91-2
Spiro[1-azabicyclo[2.2.2]octane-3,2′(3’H)-furo[2,3-b]pyridine], (2’R)-
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.20260301 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS220099-91-2
- Purity/Analytical Methods: >99.0%
220099-91-2 / (3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
Basic Information
CAS
220099-91-2
Multi CAS
No
Molecular Formula
C13H16N2O
Molecular Weight
216.280000
Exact Mass
216.126263
SMILES
C1CN2CCC1[C@@]3(C2)CC4=C(O3)N=CC=C4
InChI
InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1
InChIKey
OCKIPDMKGPYYJS-ZDUSSCGKSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.62
H-bond acceptors
3
Molar refractivity
60.46
TPSA
25.36
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.6
Consensus LogP
1.46
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.29
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6
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![CAS 220114-28-3 β-D-Glucopyranosiduronic acid, (3β,4α,16α,21β,22α)-22-(acetyloxy)-16,28-dihydroxy-21-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-23-oxoolean-12-en-3-yl O-β-D-galactopyranosyl-(1→2)-O-[O-β-D-xylopyranosyl-(1→2)-α-L-arabinopyranosyl-(1→3)]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/220114-28-3.gif)
