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CAS 168297-77-6 (S)-(+)-AMINO-2-METHYL-1-PHENYL-PROPAN-2-OL HCL molecular structure lightbox
CAS RN: 168297-77-6

(S)-(+)-AMINO-2-METHYL-1-PHENYL-PROPAN-2-OL HCL

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260124 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS168297-77-6
  • Purity/Analytical Methods: >99.0%
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168297-77-6 / (1S)-1-amino-2-methyl-1-phenylpropan-2-ol;hydrochloride

Standard CAS: 168297-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
168297-77-6
Multi CAS
No
Molecular Formula
C10H16ClNO
Molecular Weight
201.690000
Exact Mass
201.092042
SMILES
CC(C)([C@H](C1=CC=CC=C1)N)O.Cl
InChI
InChI=1S/C10H15NO.ClH/c1-10(2,12)9(11)8-6-4-3-5-7-8;/h3-7,9,12H,11H2,1-2H3;1H/t9-;/m0./s1
InChIKey
KXLBTDXBYUFQJM-FVGYRXGTSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
56.92
TPSA
46.25

LogP / Solubility

WLOGP
1.88
MLOGP
1.65
XLogP3
1.88
Consensus LogP
1.8
Log S (ESOL)
-2.48
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
Class (SILICOS-IT)
Moderately 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)
-2.62

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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