CAS RN: 473732-95-5
(S)-1-(5-METHYLFURAN-2-YL)PROPAN-1-AMINE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS473732-95-5
- Purity/Analytical Methods: >99.0%
473732-95-5 / (1S)-1-(5-methylfuran-2-yl)propan-1-amine
Basic Information
CAS
473732-95-5
Multi CAS
Yes
Molecular Formula
C8H13NO
Molecular Weight
139.190000
Exact Mass
139.099714
InChI
InChI=1S/C8H13NO/c1-3-7(9)8-5-4-6(2)10-8/h4-5,7H,3,9H2,1-2H3/t7-/m0/s1
InChIKey
YLNWJSHBHAFMAT-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.66
TPSA
39.16
LogP / Solubility
WLOGP
2
MLOGP
1.75
XLogP3
1.2
Consensus LogP
1.65
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-2.15
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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