![CAS 340025-61-8 FURAN-2-YLMETHYL-[1-(4-METHOXY-PHENYL)-BUT-3-ENYL]-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/340025-61-8.gif)
CAS RN: 340025-61-8
FURAN-2-YLMETHYL-[1-(4-METHOXY-PHENYL)-BUT-3-ENYL]-AMINE
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS340025-61-8
- Purity/Analytical Methods: >99.0%
340025-61-8 / (1S)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)but-3-en-1-amine
Basic Information
CAS
340025-61-8
Multi CAS
Yes
Molecular Formula
C16H19NO2
Molecular Weight
257.330000
Exact Mass
257.141579
InChI
InChI=1S/C16H19NO2/c1-3-5-16(17-12-15-6-4-11-19-15)13-7-9-14(18-2)10-8-13/h3-4,6-11,16-17H,1,5,12H2,2H3
InChIKey
KLECXMIWSBQFFU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.25
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
76.1
TPSA
34.4
LogP / Solubility
WLOGP
3.7
MLOGP
3.26
XLogP3
3
Consensus LogP
3.32
Log S (ESOL)
-3.73
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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