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CAS 24646-40-0 3,4-Methylenedioxy PV9 (hydrochloride) molecular structure lightbox
CAS RN: 24646-40-0

3,4-Methylenedioxy PV9 (hydrochloride)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS24646-40-0
  • Purity/Analytical Methods: >99.0%
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24646-40-0 / 1-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yloctan-1-one;hydrochloride

Standard CAS: 24646-40-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24646-40-0
Multi CAS
No
Molecular Formula
C19H28ClNO3
Molecular Weight
353.900000
Exact Mass
353.175771
InChI
InChI=1S/C19H27NO3.ClH/c1-2-3-4-5-8-16(20-11-6-7-12-20)19(21)15-9-10-17-18(13-15)23-14-22-17;/h9-10,13,16H,2-8,11-12,14H2,1H3;1H
InChIKey
PYKXCYXCXKRYNZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
97.5
TPSA
38.77

LogP / Solubility

WLOGP
4.45
MLOGP
3.94
XLogP3
4.45
Consensus LogP
4.28
Log S (ESOL)
-4.5
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.62
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
Yes
Log Kp (skin permeation)
-1.72

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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