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CAS 278782-75-5 1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)sulfonyl]piperazine molecular structure lightbox
CAS RN: 278782-75-5

1-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)sulfonyl]piperazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250501 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS278782-75-5
  • Purity/Analytical Methods: >99.0%
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278782-75-5 / 1-(1,3-benzodioxol-5-ylmethyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine

Standard CAS: 278782-75-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
278782-75-5
Multi CAS
No
Molecular Formula
C20H24N2O6S
Molecular Weight
420.500000
Exact Mass
420.135508
InChI
InChI=1S/C20H24N2O6S/c1-25-17-6-4-16(12-19(17)26-2)29(23,24)22-9-7-21(8-10-22)13-15-3-5-18-20(11-15)28-14-27-18/h3-6,11-12H,7-10,13-14H2,1-2H3
InChIKey
VCXFUNANQCIFOE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
106.15
TPSA
77.54

LogP / Solubility

WLOGP
1.94
MLOGP
1.73
XLogP3
2.1
Consensus LogP
1.92
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.91

Drug-likeness / Medicinal Chemistry

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

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