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CAS 2489613-16-1 (S)-6-fluoro-2,3-dihydrobenzofuran-3-amine hydrochloride molecular structure lightbox
CAS RN: 2489613-16-1

(S)-6-fluoro-2,3-dihydrobenzofuran-3-amine hydrochloride

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260212 100mg Out of stock Inquiry
Batchno.20260417 100mg / 250mg Out of stock 8-10 business days Inquiry
Batchno.20250324 250mg Out of stock Inquiry
  • Product code: starshine_CAS2489613-16-1
  • Purity/Analytical Methods: >99.0%
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2489613-16-1 / 6-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride

Standard CAS: 2489613-16-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2489613-16-1
Multi CAS
No
Molecular Formula
C8H9ClFNO
Molecular Weight
189.610000
Exact Mass
189.035670
SMILES
C1C(C2=C(O1)C=C(C=C2)F)N.Cl
InChI
InChI=1S/C8H8FNO.ClH/c9-5-1-2-6-7(10)4-11-8(6)3-5;/h1-3,7H,4,10H2;1H
InChIKey
HFKQYAVAOPSXSI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
46.07
TPSA
35.25

LogP / Solubility

WLOGP
1.64
MLOGP
1.44
XLogP3
1.64
Consensus LogP
1.57
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.3
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.25
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)
-2.71

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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