CAS RN: 53175-33-0
CHEMBRDG-BB 9071357
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 250mg / 1g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS53175-33-0
- Purity/Analytical Methods: >99.0%
53175-33-0 / N-(furan-2-ylmethyl)prop-2-en-1-amine
Basic Information
CAS
53175-33-0
Multi CAS
No
Molecular Formula
C8H11NO
Molecular Weight
137.180000
Exact Mass
137.084064
InChI
InChI=1S/C8H11NO/c1-2-5-9-7-8-4-3-6-10-8/h2-4,6,9H,1,5,7H2
InChIKey
MTYBVTYEWJBZQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.61
TPSA
25.17
LogP / Solubility
WLOGP
1.56
MLOGP
1.36
XLogP3
1
Consensus LogP
1.31
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.32
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)
-2.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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