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CAS 2061996-92-5 (S)-2-Amino-2-(4-cyclopropoxyphenyl)ethanol hydrochloride molecular structure lightbox
CAS RN: 2061996-92-5

(S)-2-Amino-2-(4-cyclopropoxyphenyl)ethanol hydrochloride

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4 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251023 100mg Out of stock Inquiry
Batchno.20250524 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20250726 250mg Out of stock Inquiry
Batchno.20250711 50mg Out of stock Inquiry
  • Product code: starshine_CAS2061996-92-5
  • Purity/Analytical Methods: >99.0%
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2061996-92-5 / (2S)-2-amino-2-(4-cyclopropyloxyphenyl)ethanol;hydrochloride

Standard CAS: 2061996-92-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2061996-92-5
Multi CAS
No
Molecular Formula
C11H16ClNO2
Molecular Weight
229.700000
Exact Mass
229.086956
SMILES
C1CC1OC2=CC=C(C=C2)[C@@H](CO)N.Cl
InChI
InChI=1S/C11H15NO2.ClH/c12-11(7-13)8-1-3-9(4-2-8)14-10-5-6-10;/h1-4,10-11,13H,5-7,12H2;1H/t11-;/m1./s1
InChIKey
GRMODXNOQALNFH-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
61.35
TPSA
55.48

LogP / Solubility

WLOGP
1.64
MLOGP
1.45
XLogP3
1.64
Consensus LogP
1.58
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
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)
-2.96

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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