CAS RN: 1228566-51-5
(4S)-6-ETHYL-3,4-DIHYDRO-2H-1-BENZOPYRAN-4-AMINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260211 | 50mg / 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1228566-51-5
- Purity/Analytical Methods: >99.0%
1228566-51-5 / (4S)-6-ethyl-3,4-dihydro-2H-chromen-4-amine
Basic Information
CAS
1228566-51-5
Multi CAS
No
Molecular Formula
C11H15NO
Molecular Weight
177.240000
Exact Mass
177.115364
SMILES
CCC1=CC2=C(C=C1)OCC[C@@H]2N
InChI
InChI=1S/C11H15NO/c1-2-8-3-4-11-9(7-8)10(12)5-6-13-11/h3-4,7,10H,2,5-6,12H2,1H3/t10-/m0/s1
InChIKey
IEPIMUROQDSURV-JTQLQIEISA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
52.86
TPSA
35.25
LogP / Solubility
WLOGP
2.03
MLOGP
1.78
XLogP3
1.7
Consensus LogP
1.84
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.36
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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![CAS 1228568-69-1 (3S)-6-BROMO-2,3-DIHYDROBENZO[B]FURAN-3-YLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1228568-69-1.gif)
