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CAS 1354970-56-1 (1R)-1-(4-FLUORO-2-METHOXYPHENYL)ETHAN-1-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1354970-56-1

(1R)-1-(4-FLUORO-2-METHOXYPHENYL)ETHAN-1-AMINE HYDROCHLORIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251212 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1354970-56-1
  • Purity/Analytical Methods: >99.0%
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1354970-56-1 / (1R)-1-(4-fluoro-2-methoxyphenyl)ethanamine;hydrochloride

Standard CAS: 1354970-56-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1354970-56-1
Multi CAS
No
Molecular Formula
C9H13ClFNO
Molecular Weight
205.660000
Exact Mass
205.066970
SMILES
C[C@H](C1=C(C=C(C=C1)F)OC)N.Cl
InChI
InChI=1S/C9H12FNO.ClH/c1-6(11)8-4-3-7(10)5-9(8)12-2;/h3-6H,11H2,1-2H3;1H/t6-;/m1./s1
InChIKey
FFOAXWXWUDSGCD-FYZOBXCZSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.8
TPSA
35.25

LogP / Solubility

WLOGP
2.28
MLOGP
2
XLogP3
2.28
Consensus LogP
2.19
Log S (ESOL)
-2.76
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.36

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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