CAS RN: 225236-02-2
FURAN-2-YLMETHYL-(2-METHOXY-BENZYL)-AMINE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250818 | 500mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS225236-02-2
- Purity/Analytical Methods: >99.0%
225236-02-2 / N-(furan-2-ylmethyl)-1-(2-methoxyphenyl)methanamine
Basic Information
CAS
225236-02-2
Multi CAS
No
Molecular Formula
C13H15NO2
Molecular Weight
217.260000
Exact Mass
217.110279
SMILES
COC1=CC=CC=C1CNCC2=CC=CO2
InChI
InChI=1S/C13H15NO2/c1-15-13-7-3-2-5-11(13)9-14-10-12-6-4-8-16-12/h2-8,14H,9-10H2,1H3
InChIKey
WKNQLAHUYDYUNM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.25
TPSA
34.4
LogP / Solubility
WLOGP
2.58
MLOGP
2.27
XLogP3
1.9
Consensus LogP
2.25
Log S (ESOL)
-2.99
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.2
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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