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CAS 348619-91-0 (R)-b-AMino-4-fluorobenzenepropanol molecular structure lightbox
CAS RN: 348619-91-0

(R)-b-AMino-4-fluorobenzenepropanol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260218 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS348619-91-0
  • Purity/Analytical Methods: >99.0%
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348619-91-0 / 2-amino-3-(4-fluorophenyl)propan-1-ol

Standard CAS: 348619-91-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
348619-91-0
Multi CAS
Yes
Molecular Formula
C9FH12NO
Molecular Weight
169.200000
Exact Mass
169.090292
InChI
InChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
InChIKey
NHOCAYQCFORHNF-SECBINFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
45.17
TPSA
46.25

LogP / Solubility

WLOGP
0.69
MLOGP
0.6
XLogP3
0.7
Consensus LogP
0.66
Log S (ESOL)
-1.49
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-3.26

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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