CAS RN: 1273650-72-8
6-FLUORO-8-METHYL-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.20251025 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1273650-72-8
- Purity/Analytical Methods: >99.0%
1273650-72-8 / 6-fluoro-8-methyl-3,4-dihydro-2H-chromen-4-amine
Basic Information
CAS
1273650-72-8
Multi CAS
No
Molecular Formula
C10H12FNO
Molecular Weight
181.210000
Exact Mass
181.090292
SMILES
CC1=CC(=CC2=C1OCCC2N)F
InChI
InChI=1S/C10H12FNO/c1-6-4-7(11)5-8-9(12)2-3-13-10(6)8/h4-5,9H,2-3,12H2,1H3
InChIKey
LQYPVZGJJRSKMC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
48.18
TPSA
35.25
LogP / Solubility
WLOGP
1.92
MLOGP
1.68
XLogP3
1.4
Consensus LogP
1.67
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
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)
-2.46
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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