CAS RN: 206658-92-6
9-AMINO-1,2,3,4-TETRAHYDROACRIDINE HYDROCHLORIDE HYDRATE,99+%
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251015 | 5mg / 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 5-7 business days | Inquiry |
- Product code: starshine_CAS206658-92-6
- Purity/Analytical Methods: >99.0%
206658-92-6 / 1,2,3,4-tetrahydroacridin-9-amine;hydrate;hydrochloride
Basic Information
CAS
206658-92-6
Multi CAS
No
Molecular Formula
C13H17ClN2O
Molecular Weight
252.740000
Exact Mass
252.102941
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)N.O.Cl
InChI
InChI=1S/C13H14N2.ClH.H2O/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;;/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1H;1H2
InChIKey
PXGRMZYJAOQPNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.31
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.66
TPSA
70.41
LogP / Solubility
WLOGP
2.29
MLOGP
2.02
XLogP3
2.29
Consensus LogP
2.2
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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- Product Code: starshine_CAS206659-00-9
- Purity/Analytical method: >99.0%
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