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CAS 72520-92-4 Paeonolide molecular structure lightbox
CAS RN: 72520-92-4

Paeonolide

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251011 10mg In stock Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260114 100mg In stock Shanghai Inquiry
Batchno.20250806 10mg In stock Shanghai Inquiry
Batchno.20260126 25mg In stock Shanghai Inquiry
Batchno.20250210 50mg In stock Shanghai Inquiry
Batchno.20250821 5mg In stock Shanghai Inquiry
  • Product code: SSC-182014
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥98%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 72520-92-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥98% 0 Out of Stock Shanghai Inquiry

72520-92-4 / 1-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]ethanone

Standard CAS: 72520-92-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
72520-92-4
Multi CAS
Yes
Molecular Formula
C20H28O12
Molecular Weight
460.400000
Exact Mass
460.158076
InChI
InChI=1S/C20H28O12/c1-8(21)10-4-3-9(28-2)5-12(10)31-20-18(27)16(25)15(24)13(32-20)7-30-19-17(26)14(23)11(22)6-29-19/h3-5,11,13-20,22-27H,6-7H2,1-2H3/t11-,13+,14-,15+,16-,17+,18+,19-,20+/m0/s1
InChIKey
IDZZECHGWAZTIB-NYBIBFQCSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
7
H-bond acceptors
12
H-bond donors
6
Molar refractivity
104.02
TPSA
184.6

LogP / Solubility

WLOGP
-2.46
MLOGP
-2.13
XLogP3
-2.7
Consensus LogP
-2.43
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-1.56
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.45
Class (SILICOS-IT)
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)
-7.28

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
7

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