CAS RN: 763925-96-8
(4S)-6-(PROPAN-2-YL)-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.20260603 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS763925-96-8
- Purity/Analytical Methods: >99.0%
763925-96-8 / 6-propan-2-yl-3,4-dihydro-2H-chromen-4-amine
Basic Information
CAS
763925-96-8
Multi CAS
Yes
Molecular Formula
C12H17NO
Molecular Weight
191.270000
Exact Mass
191.131014
InChI
InChI=1S/C12H17NO/c1-8(2)9-3-4-12-10(7-9)11(13)5-6-14-12/h3-4,7-8,11H,5-6,13H2,1-2H3
InChIKey
PSDNIJBKFHYFOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
57.57
TPSA
35.25
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2
Consensus LogP
2.29
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.17
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)
-2.05
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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