CAS RN: 24646-39-7
3,4-Methylenedioxy PV8 (hydrochloride)
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS24646-39-7
- Purity/Analytical Methods: >99.0%
24646-39-7 / 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylheptan-1-one;hydrochloride
Basic Information
CAS
24646-39-7
Multi CAS
No
Molecular Formula
C18H26ClNO3
Molecular Weight
339.900000
Exact Mass
339.160121
SMILES
CCCCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3.Cl
InChI
InChI=1S/C18H25NO3.ClH/c1-2-3-4-7-15(19-10-5-6-11-19)18(20)14-8-9-16-17(12-14)22-13-21-16;/h8-9,12,15H,2-7,10-11,13H2,1H3;1H
InChIKey
YCPDCJHJHGDHPO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
92.88
TPSA
38.77
LogP / Solubility
WLOGP
4.06
MLOGP
3.59
XLogP3
4.06
Consensus LogP
3.9
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.08
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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