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CAS 94608-23-8 CIS-TRIMETHOXY STILBENE molecular structure lightbox
CAS RN: 94608-23-8

CIS-TRIMETHOXY STILBENE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 50mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS94608-23-8
  • Purity/Analytical Methods: >99.0%
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94608-23-8 / 1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethenyl]benzene

Standard CAS: 94608-23-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
94608-23-8
Multi CAS
Yes
Molecular Formula
C17H18O3
Molecular Weight
270.320000
Exact Mass
270.125594
InChI
InChI=1S/C17H18O3/c1-18-15-8-6-13(7-9-15)4-5-14-10-16(19-2)12-17(11-14)20-3/h4-12H,1-3H3/b5-4-
InChIKey
GDHNBPHYVRHYCC-PLNGDYQASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
81.47
TPSA
27.69

LogP / Solubility

WLOGP
3.88
MLOGP
3.43
XLogP3
4.1
Consensus LogP
3.8
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.58
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.24
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61

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
1.5

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