![CAS 55745-69-2 1-[(2,3-dihydro-5-benzofuryl)methyl]piperazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55745-69-2.gif)
CAS RN: 55745-69-2
1-[(2,3-dihydro-5-benzofuryl)methyl]piperazine
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.20250106 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS55745-69-2
- Purity/Analytical Methods: >99.0%
55745-69-2 / 1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine
Basic Information
CAS
55745-69-2
Multi CAS
No
Molecular Formula
C13H18N2O
Molecular Weight
218.290000
Exact Mass
218.141913
InChI
InChI=1S/C13H18N2O/c1-2-13-12(3-8-16-13)9-11(1)10-15-6-4-14-5-7-15/h1-2,9,14H,3-8,10H2
InChIKey
WVVYETFQVXIRRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.79
TPSA
24.5
LogP / Solubility
WLOGP
1.03
MLOGP
0.91
XLogP3
1.1
Consensus LogP
1.01
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.17
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)
-3.32
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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