CAS RN: 203564-54-9
Tebanicline (hydrochloride)
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.20260104 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS203564-54-9
- Purity/Analytical Methods: >99.0%
203564-54-9 / 5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine;hydrochloride
Basic Information
CAS
203564-54-9
Multi CAS
No
Molecular Formula
C9H12Cl2N2O
Molecular Weight
235.110000
Exact Mass
234.032668
SMILES
C1CN[C@H]1COC2=CN=C(C=C2)Cl.Cl
InChI
InChI=1S/C9H11ClN2O.ClH/c10-9-2-1-8(5-12-9)13-6-7-3-4-11-7;/h1-2,5,7,11H,3-4,6H2;1H/t7-;/m1./s1
InChIKey
GYVARJONEFSAJB-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
58.4
TPSA
34.15
LogP / Solubility
WLOGP
1.9
MLOGP
1.67
XLogP3
1.9
Consensus LogP
1.82
Log S (ESOL)
-2.61
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
