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CAS 67526-95-8 Thapsigargin molecular structure lightbox
CAS RN: 67526-95-8

Thapsigargin

Product Availability

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6 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250827 100mg Out of stock Inquiry
Batchno.20260103 10mg In stock Shanghai Inquiry
Batchno.20250908 1mg In stock Shanghai Inquiry
Batchno.20251121 25mg In stock Shanghai Inquiry
Batchno.20250625 50mg Out of stock Inquiry
Batchno.20250905 5mg In stock Shanghai Inquiry
  • Product code: SSC-177228
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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: ≥95%
  • 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 67526-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

67526-95-8 / [6-acetyloxy-4-butanoyloxy-3,3a-dihydroxy-3,6,9-trimethyl-8-(2-methylbut-2-enoyloxy)-2-oxo-4,5,6a,7,8,9b-hexahydroazuleno[4,5-b]furan-7-yl] octanoate

Standard CAS: 67526-95-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67526-95-8
Multi CAS
Yes
Molecular Formula
C34H50O12
Molecular Weight
650.800000
Exact Mass
650.330227
InChI
InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3
InChIKey
IXFPJGBNCFXKPI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Fraction Csp3
0.74
Rotatable bonds
13
H-bond acceptors
12
H-bond donors
2
Molar refractivity
163.79
TPSA
171.96

LogP / Solubility

WLOGP
3.93
MLOGP
3.51
XLogP3
3.6
Consensus LogP
3.68
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.73
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-3.9

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
8

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