CAS RN: 265130-22-1
(R)-(-)-1-(benzofuran-2-yl)-2-propylaminopentane hydrochloride
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.20260623 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS265130-22-1
- Purity/Analytical Methods: >99.0%
265130-22-1 / 1-(1-benzofuran-2-yl)-N-propylpentan-2-amine;hydrochloride
Basic Information
CAS
265130-22-1
Multi CAS
No
Molecular Formula
C16H24ClNO
Molecular Weight
281.820000
Exact Mass
281.154642
SMILES
CCCC(CC1=CC2=CC=CC=C2O1)NCCC.Cl
InChI
InChI=1S/C16H23NO.ClH/c1-3-7-14(17-10-4-2)12-15-11-13-8-5-6-9-16(13)18-15;/h5-6,8-9,11,14,17H,3-4,7,10,12H2,1-2H3;1H
InChIKey
GKKNDWKXWAVGOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
7
H-bond acceptors
2
H-bond donors
1
Molar refractivity
84.16
TPSA
25.17
LogP / Solubility
WLOGP
4.57
MLOGP
4.03
XLogP3
4.57
Consensus LogP
4.39
Log S (ESOL)
-4.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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