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CAS 80262-44-8 CUCURBITURIL molecular structure lightbox
CAS RN: 80262-44-8

CUCURBITURIL

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250531 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250811 250mg In stock Shanghai, Shenzhen, Wuhan Inquiry
Batchno.20251024 25g In stock Shanghai Inquiry
Batchno.20260526 5g In stock Shanghai Inquiry
  • Product code: SSC-189195
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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: 5g
  • Available purity: ＞97%
  • 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 80262-44-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

80262-44-8 / 3,5,8,10,13,15,18,20,23,25,28,30,31,33,35,37,41,43,45,47,49,51,53,55-tetracosazanonadecacyclo[25.3.3.36,7.311,12.316,17.321,22.22,31.226,33.13,30.15,8.110,13.115,18.120,23.125,28.135,41.137,55.143,45.147,49.151,53]hexacontane-34,36,38,39,40,42,44,46,48,50,52,54-dodecone

Standard CAS: 80262-44-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
80262-44-8
Multi CAS
Yes
Molecular Formula
C36H36N24O12
Molecular Weight
996.800000
Exact Mass
996.294453
InChI
InChI=1S/C36H36N24O12/c61-25-37-1-38-14-16-42(26(38)62)4-46-18-20-50(30(46)66)8-54-22-24-58(34(54)70)11-57-23-21-53(33(57)69)7-49-19-17-45(29(49)65)3-41(25)15-13(37)39-2-40(14)28(64)44(16)6-48(18)32(68)52(20)10-56(22)36(72)60(24)12-59(23)35(71)55(21)9-51(19)31(67)47(17)5-43(15)27(39)63/h13-24H,1-12H2
InChIKey
MSBXTPRURXJCPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Fraction Csp3
0.67
H-bond acceptors
12
Molar refractivity
212.75
TPSA
282.6

LogP / Solubility

WLOGP
-5.66
MLOGP
-4.89
XLogP3
-6.8
Consensus LogP
-5.78
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-1.44
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)
-12.82

Drug-likeness / Medicinal Chemistry

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

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