CAS RN: 1909348-43-1
2-(5-chloro-2-methoxyphenyl)propan-2-amine hydrochloride
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.20251011 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS1909348-43-1
- Purity/Analytical Methods: >99.0%
1909348-43-1 / 2-(5-chloro-2-methoxyphenyl)propan-2-amine;hydrochloride
Basic Information
CAS
1909348-43-1
Multi CAS
No
Molecular Formula
C10H15Cl2NO
Molecular Weight
236.130000
Exact Mass
235.053070
SMILES
CC(C)(C1=C(C=CC(=C1)Cl)OC)N.Cl
InChI
InChI=1S/C10H14ClNO.ClH/c1-10(2,12)8-6-7(11)4-5-9(8)13-3;/h4-6H,12H2,1-3H3;1H
InChIKey
VXRALRMIBWOSAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
62.47
TPSA
35.25
LogP / Solubility
WLOGP
2.96
MLOGP
2.61
XLogP3
2.96
Consensus LogP
2.84
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.9
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)
-2.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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