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CAS 26089-54-3 Myrciaphenone A molecular structure lightbox
CAS RN: 26089-54-3

Myrciaphenone A

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250910 5mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260125 5mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS26089-54-3
  • Purity/Analytical Methods: >99.0%
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26089-54-3 / 1-[2,4-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone

Standard CAS: 26089-54-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
26089-54-3
Multi CAS
Yes
Molecular Formula
C14H18O9
Molecular Weight
330.290000
Exact Mass
330.095082
InChI
InChI=1S/C14H18O9/c1-5(16)10-7(18)2-6(17)3-8(10)22-14-13(21)12(20)11(19)9(4-15)23-14/h2-3,9,11-15,17-21H,4H2,1H3/t9-,11-,12+,13-,14-/m1/s1
InChIKey
GFKQVLKFPJGJEP-RGCYKPLRSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
9
H-bond donors
6
Molar refractivity
74.17
TPSA
156.91

LogP / Solubility

WLOGP
-1.52
MLOGP
-1.32
XLogP3
-1
Consensus LogP
-1.28
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
5

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