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CAS 27409-30-9 Picroside I molecular structure lightbox
CAS RN: 27409-30-9

Picroside I

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5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250519 100mg In stock Shanghai Inquiry
Batchno.20251015 250mg In stock Shanghai Inquiry
Batchno.20251229 25mg In stock Shanghai Inquiry
Batchno.20250724 50mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251015 20mg / 100mg / 500mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: ICTP2593
  • Purity/Analytical Methods: >95.0%(HPLC)
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27409-30-9 / [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]oxan-2-yl]methyl 3-phenylprop-2-enoate

Standard CAS: 27409-30-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
27409-30-9
Multi CAS
Yes
Molecular Formula
C24H28O11
Molecular Weight
492.500000
Exact Mass
492.163162
InChI
InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey
XZGPUOQGERGURE-YRWPAIAPSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
6
Fraction Csp3
0.54
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
5
Molar refractivity
115.89
TPSA
167.67

LogP / Solubility

WLOGP
-1.33
MLOGP
-1.13
XLogP3
-1.1
Consensus LogP
-1.19
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-6.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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