![CAS 1414960-53-4 (R)-N-[4-(1-Amino-ethyl)-phenyl]-acetamide hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1414960-53-4.gif)
CAS RN: 1414960-53-4
(R)-N-[4-(1-Amino-ethyl)-phenyl]-acetamide 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.20260604 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1414960-53-4
- Purity/Analytical Methods: >99.0%
1414960-53-4 / N-[4-[(1R)-1-aminoethyl]phenyl]acetamide;hydrochloride
Basic Information
CAS
1414960-53-4
Multi CAS
No
Molecular Formula
C10H15ClN2O
Molecular Weight
214.690000
Exact Mass
214.087291
SMILES
C[C@H](C1=CC=C(C=C1)NC(=O)C)N.Cl
InChI
InChI=1S/C10H14N2O.ClH/c1-7(11)9-3-5-10(6-4-9)12-8(2)13;/h3-7H,11H2,1-2H3,(H,12,13);1H/t7-;/m1./s1
InChIKey
CJMAKPYPZQWWSK-OGFXRTJISA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
60.6
TPSA
55.12
LogP / Solubility
WLOGP
2.09
MLOGP
1.84
XLogP3
2.09
Consensus LogP
2.01
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.03
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)
-2.55
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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