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CAS 1213519-46-0 (3S)-4-FLUORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure lightbox
CAS RN: 1213519-46-0

(3S)-4-FLUORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251009 50mg / 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1213519-46-0
  • Purity/Analytical Methods: >99.0%
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1213519-46-0 / (3S)-4-fluoro-2,3-dihydro-1-benzofuran-3-amine

4-fluoro-2,3-dihydrobenzofuran-3-amine | 4-fluoro-2,3-dihydro-1-benzofuran-3-amine | MFCD20696981

Standard CAS: 1213519-46-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1213519-46-0
Multi CAS
Yes
Molecular Formula
C8H8FNO
Molecular Weight
153.150000
Exact Mass
153.058992
SMILES
C1[C@H](C2=C(O1)C=CC=C2F)N
InChI
InChI=1S/C8H8FNO/c9-5-2-1-3-7-8(5)6(10)4-11-7/h1-3,6H,4,10H2/t6-/m1/s1
InChIKey
AQQJRPFPRCBKNR-ZCFIWIBFSA-N
Synonyms
4-fluoro-2,3-dihydrobenzofuran-3-amine 4-fluoro-2,3-dihydro-1-benzofuran-3-amine MFCD20696981 SCHEMBL1266571 AKOS023111328

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.82
TPSA
35.25

LogP / Solubility

WLOGP
1.22
MLOGP
1.07
XLogP3
0.7
Consensus LogP
1
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.67
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)
-2.79

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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