![CAS 159053-43-7 [(1R)-1-(4-CHLOROPHENYL)ETHYL]METHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/159053-43-7.gif)
CAS RN: 159053-43-7
[(1R)-1-(4-CHLOROPHENYL)ETHYL]METHYLAMINE
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.20251231 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS159053-43-7
- Purity/Analytical Methods: >99.0%
159053-43-7 / (1R)-1-(4-chlorophenyl)-N-methylethanamine
Basic Information
CAS
159053-43-7
Multi CAS
No
Molecular Formula
C9H12ClN
Molecular Weight
169.650000
Exact Mass
169.065827
SMILES
C[C@H](C1=CC=C(C=C1)Cl)NC
InChI
InChI=1S/C9H12ClN/c1-7(11-2)8-3-5-9(10)6-4-8/h3-7,11H,1-2H3/t7-/m1/s1
InChIKey
ZTHCGUAPWQKOPA-SSDOTTSWSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.93
TPSA
12.03
LogP / Solubility
WLOGP
2.62
MLOGP
2.3
XLogP3
2.3
Consensus LogP
2.41
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.18
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)
-1.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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