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CAS 81840-15-5 VESNARINONE molecular structure lightbox
CAS RN: 81840-15-5

VESNARINONE

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250325 100mg Out of stock Inquiry
Batchno.20250818 10mg In stock Shanghai Inquiry
Batchno.20260125 250mg Out of stock Inquiry
Batchno.20251209 25mg In stock Shanghai Inquiry
Batchno.20260318 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260303 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS81840-15-5
  • Purity/Analytical Methods: >99.0%
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81840-15-5 / 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3,4-dihydro-1H-quinolin-2-one

Standard CAS: 81840-15-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
81840-15-5
Multi CAS
Yes
Molecular Formula
C22H25N3O4
Molecular Weight
395.500000
Exact Mass
395.184506
InChI
InChI=1S/C22H25N3O4/c1-28-19-7-3-16(14-20(19)29-2)22(27)25-11-9-24(10-12-25)17-5-6-18-15(13-17)4-8-21(26)23-18/h3,5-7,13-14H,4,8-12H2,1-2H3,(H,23,26)
InChIKey
ZVNYJIZDIRKMBF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
111.06
TPSA
71.11

LogP / Solubility

WLOGP
2.55
MLOGP
2.27
XLogP3
2.1
Consensus LogP
2.31
Log S (ESOL)
-3.94
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.64
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.32

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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