![CAS 1228553-27-2 (3R)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228553-27-2.gif)
CAS RN: 1228553-27-2
(3R)-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260129 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS1228553-27-2
- Purity/Analytical Methods: >99.0%
1228553-27-2 / (3R)-2,3-dihydro-1-benzofuran-3-amine
Basic Information
CAS
1228553-27-2
Multi CAS
No
Molecular Formula
C8H9NO
Molecular Weight
135.160000
Exact Mass
135.068414
SMILES
C1[C@@H](C2=CC=CC=C2O1)N
InChI
InChI=1S/C8H9NO/c9-7-5-10-8-4-2-1-3-6(7)8/h1-4,7H,5,9H2/t7-/m0/s1
InChIKey
PLCGAGSBVAGXMP-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.87
TPSA
35.25
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
XLogP3
0.6
Consensus LogP
0.87
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-1.45
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.43
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)
-2.78
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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