![CAS 1053239-39-6 2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylaMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1053239-39-6.gif)
CAS RN: 1053239-39-6
2-(1,6,7,8-Tetrahydro-2H-indeno[5,4-b]furan-8-yl)ethylaMine hydrochloride
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260628 | 100mg / 250mg / 1g / 5g / 25g | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS1053239-39-6
- Purity/Analytical Methods: >99.0%
1053239-39-6 / 2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
2-(2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethanamine hydrochloride | 2-(1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl)ethylamine hydrochloride | MFCD11865055
Basic Information
CAS
1053239-39-6
Multi CAS
Yes
Molecular Formula
C13H18ClNO
Molecular Weight
239.740000
Exact Mass
239.107692
SMILES
C1CC2=C(C1CCN)C3=C(C=C2)OCC3.Cl
InChI
InChI=1S/C13H17NO.ClH/c14-7-5-10-2-1-9-3-4-12-11(13(9)10)6-8-15-12;/h3-4,10H,1-2,5-8,14H2;1H
InChIKey
PTRBVFJPGFTDDU-UHFFFAOYSA-N
Synonyms
2-(2,6,7,8-Tetrahydro-1H-indeno[5,4-b]furan-8-yl)ethanamine hydrochloride
2-(1,6,7,8-tetrahydro-2h-indeno[5,4-b]furan-8-yl)ethylamine hydrochloride
MFCD11865055
2-[1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethanamine hydrochloride
2-(2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl)ethanamine;hydrochloride
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
67.62
TPSA
35.25
LogP / Solubility
WLOGP
2.42
MLOGP
2.14
XLogP3
2.42
Consensus LogP
2.33
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.47
Class (SILICOS-IT)
Poorly 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)
-2.46
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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