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CAS 20989-19-9 (S)-b-AMino-4-Methoxybenzenepropanol molecular structure lightbox
CAS RN: 20989-19-9

(S)-b-AMino-4-Methoxybenzenepropanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250530 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS20989-19-9
  • Purity/Analytical Methods: >99.0%
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20989-19-9 / (2S)-2-amino-3-(4-methoxyphenyl)propan-1-ol

Standard CAS: 20989-19-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
20989-19-9
Multi CAS
No
Molecular Formula
C10H15NO2
Molecular Weight
181.230000
Exact Mass
181.110279
SMILES
COC1=CC=C(C=C1)C[C@@H](CO)N
InChI
InChI=1S/C10H15NO2/c1-13-10-4-2-8(3-5-10)6-9(11)7-12/h2-5,9,12H,6-7,11H2,1H3/t9-/m0/s1
InChIKey
GVLHBFBFUSPHJO-VIFPVBQESA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
51.76
TPSA
55.48

LogP / Solubility

WLOGP
0.56
MLOGP
0.49
XLogP3
0.7
Consensus LogP
0.58
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
Class (SILICOS-IT)
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)
-3.43

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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