CAS RN: 2453296-92-7
(S)-7-fluoro-2,3-dihydrobenzofuran-3-amine hydrochloride
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS2453296-92-7
- Purity/Analytical Methods: >99.0%
2453296-92-7 / 7-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
Basic Information
CAS
2453296-92-7
Multi CAS
Yes
Molecular Formula
C8H9CLFNO
Molecular Weight
189.610000
Exact Mass
189.035670
InChI
InChI=1S/C8H8FNO.ClH/c9-6-3-1-2-5-7(10)4-11-8(5)6;/h1-3,7H,4,10H2;1H/t7-;/m1./s1
InChIKey
PQIJNAJAAMHSNW-OGFXRTJISA-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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