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CAS 17186-56-0 (S)-(+)-2-AMino-N-Methyl-3-phenyl-propionaMide hydrochloride molecular structure lightbox
CAS RN: 17186-56-0

(S)-(+)-2-AMino-N-Methyl-3-phenyl-propionaMide hydrochloride

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Batchno.20250211 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS17186-56-0
  • Purity/Analytical Methods: >99.0%
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17186-56-0 / [(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]azanium chloride

Standard CAS: 17186-56-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
17186-56-0
Multi CAS
No
Molecular Formula
C10H15ClN2O
Molecular Weight
214.690000
Exact Mass
214.087291
SMILES
CNC(=O)[C@H](CC1=CC=CC=C1)[NH3+].[Cl-]
InChI
InChI=1S/C10H14N2O.ClH/c1-12-10(13)9(11)7-8-5-3-2-4-6-8;/h2-6,9H,7,11H2,1H3,(H,12,13);1H/t9-;/m0./s1
InChIKey
UDXSBRWDLXGZIC-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
2
Molar refractivity
50.89
TPSA
56.74

LogP / Solubility

WLOGP
-3.41
MLOGP
-3
XLogP3
-3.41
Consensus LogP
-3.27
Log S (ESOL)
0.86
Class (ESOL)
Highly soluble
Log S (Ali)
1.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.42
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.45

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement Codes
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501

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