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CAS 39012-20-9 Picroside II molecular structure lightbox
CAS RN: 39012-20-9

Picroside II

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8 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260311 100mg In stock Shanghai Inquiry
Batchno.20250720 10mg In stock Shanghai, Wuhan Inquiry
Batchno.20251206 1g In stock Shanghai Inquiry
Batchno.20250215 1mg In stock Shanghai, Wuhan Inquiry
Batchno.20250626 250mg In stock Shanghai Inquiry
Batchno.20250125 25mg In stock Shanghai Inquiry
Batchno.20260416 50mg In stock Shanghai Inquiry
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Batchno.20251224 20mg In stock Inquiry
  • Product code: starshine_CAS39012-20-9
  • Purity/Analytical Methods: >99.0%
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39012-20-9 / [2-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl] 4-hydroxy-3-methoxybenzoate

Standard CAS: 39012-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
39012-20-9
Multi CAS
Yes
Molecular Formula
C23H28O13
Molecular Weight
512.500000
Exact Mass
512.152991
InChI
InChI=1S/C23H28O13/c1-31-12-6-9(2-3-11(12)26)20(30)34-18-10-4-5-32-21(14(10)23(8-25)19(18)36-23)35-22-17(29)16(28)15(27)13(7-24)33-22/h2-6,10,13-19,21-22,24-29H,7-8H2,1H3/t10-,13-,14-,15-,16+,17-,18+,19+,21+,22+,23-/m1/s1
InChIKey
AKNILCMFRRDTEY-NUGKWEEESA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
7
H-bond acceptors
13
H-bond donors
6
Molar refractivity
114.4
TPSA
197.13

LogP / Solubility

WLOGP
-2.01
MLOGP
-1.73
XLogP3
-1.4
Consensus LogP
-1.71
Log S (ESOL)
-1.41
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.16
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
Low
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)
-7.27

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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