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CAS 38967-99-6 β-D-Glucopyranoside, 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl molecular structure lightbox
CAS RN: 38967-99-6

β-D-Glucopyranoside, 4-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260221 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: starshine_CAS38967-99-6
  • Purity/Analytical Methods: >99.0%
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38967-99-6 / (2S,3R,4S,5S,6R)-2-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Standard CAS: 38967-99-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
38967-99-6
Multi CAS
Yes
Molecular Formula
C22H26O8
Molecular Weight
418.400000
Exact Mass
418.162768
InChI
InChI=1S/C22H26O8/c1-27-16-9-14(10-17(11-16)28-2)4-3-13-5-7-15(8-6-13)29-22-21(26)20(25)19(24)18(12-23)30-22/h3-11,18-26H,12H2,1-2H3/b4-3+/t18-,19-,20+,21-,22-/m1/s1
InChIKey
IGTFTNWJAADJKD-QCJVRXEMSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
12
Fraction Csp3
0.36
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
4
Molar refractivity
109.31
TPSA
117.84

LogP / Solubility

WLOGP
1.05
MLOGP
0.95
XLogP3
1.7
Consensus LogP
1.23
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52

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
5

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