CAS RN: 2102410-88-6
(3R)-4-FLUORO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE HYDROCHLORIDE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20250212 |
250mg |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS2102410-88-6
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Purity/Analytical Methods:
>99.0%
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2102410-88-6 / (3R)-4-fluoro-2,3-dihydro-1-benzofuran-3-amine;hydrochloride
Standard CAS: 2102410-88-6
Multi CAS: No
Basic Information
CAS
2102410-88-6
Multi CAS
No
Molecular Formula
C8H9ClFNO
Molecular Weight
189.610000
Exact Mass
189.035670
SMILES
C1[C@@H](C2=C(O1)C=CC=C2F)N.Cl
InChI
InChI=1S/C8H8FNO.ClH/c9-5-2-1-3-7-8(5)6(10)4-11-7;/h1-3,6H,4,10H2;1H/t6-;/m0./s1
InChIKey
UYHZWXUWYDOLLQ-RGMNGODLSA-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