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CAS 1313593-58-6 (R)-1-(4-fluorophenyl)butan-1-aMine hydrochloride molecular structure lightbox
CAS RN: 1313593-58-6

(R)-1-(4-fluorophenyl)butan-1-aMine hydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1313593-58-6
  • Purity/Analytical Methods: >99.0%
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1313593-58-6 / (1R)-1-(4-fluorophenyl)butan-1-amine

Standard CAS: 1313593-58-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1313593-58-6
Multi CAS
No
Molecular Formula
C10H14FN
Molecular Weight
167.220000
Exact Mass
167.111028
SMILES
CCC[C@H](C1=CC=C(C=C1)F)N
InChI
InChI=1S/C10H14FN.ClH/c1-2-3-10(12)8-4-6-9(11)7-5-8;/h4-7,10H,2-3,12H2,1H3;1H/t10-;/m1./s1
InChIKey
OSTHHMQMMDZLCD-HNCPQSOCSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
48.24
TPSA
26.02

LogP / Solubility

WLOGP
2.63
MLOGP
2.31
XLogP3
2.2
Consensus LogP
2.38
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.29
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)
-1.88

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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