CAS RN: 2241594-14-7
(1S)-1-(2-CHLORO-4-METHOXYPHENYL)ETHYLAMINE 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.20250219 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2241594-14-7
- Purity/Analytical Methods: >99.0%
2241594-14-7 / (1S)-1-(2-chloro-4-methoxyphenyl)ethanamine;hydrochloride
Basic Information
CAS
2241594-14-7
Multi CAS
No
Molecular Formula
C9H13Cl2NO
Molecular Weight
222.110000
Exact Mass
221.037419
SMILES
C[C@@H](C1=C(C=C(C=C1)OC)Cl)N.Cl
InChI
InChI=1S/C9H12ClNO.ClH/c1-6(11)8-4-3-7(12-2)5-9(8)10;/h3-6H,11H2,1-2H3;1H/t6-;/m0./s1
InChIKey
FTRKJXLADINCNY-RGMNGODLSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.85
TPSA
35.25
LogP / Solubility
WLOGP
2.79
MLOGP
2.46
XLogP3
2.79
Consensus LogP
2.68
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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)
-2.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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