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CAS 592542-50-2 (E)-2′,4′,6′-triMethoxystyryl-4-Methoxy-3-aMinobenzylsulfone, (E)-5-((2,4,6-triMethoxystyrylsulfonyl)Methyl)-2-MethoxybenzeneaMine molecular structure lightbox
CAS RN: 592542-50-2

(E)-2′,4′,6′-triMethoxystyryl-4-Methoxy-3-aMinobenzylsulfone, (E)-5-((2,4,6-triMethoxystyrylsulfonyl)Methyl)-2-MethoxybenzeneaMine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250419 50mg / 100mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS592542-50-2
  • Purity/Analytical Methods: >99.0%
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592542-50-2 / 2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]aniline

Standard CAS: 592542-50-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
592542-50-2
Multi CAS
Yes
Molecular Formula
C19H23NO6S
Molecular Weight
393.500000
Exact Mass
393.124609
InChI
InChI=1S/C19H23NO6S/c1-23-14-10-18(25-3)15(19(11-14)26-4)7-8-27(21,22)12-13-5-6-17(24-2)16(20)9-13/h5-11H,12,20H2,1-4H3/b8-7+
InChIKey
KUTAVMCJCVADGZ-BQYQJAHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
1
Molar refractivity
105.16
TPSA
97.08

LogP / Solubility

WLOGP
2.89
MLOGP
2.57
XLogP3
2.3
Consensus LogP
2.59
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.87
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble

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
Yes
Log Kp (skin permeation)
-3.07

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
2.5

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