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CAS 68971-82-4 4-tert-Butylcalix[8]arene molecular structure lightbox
CAS RN: 68971-82-4

4-tert-Butylcalix[8]arene

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250304 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250620 100g Out of stock Inquiry
Batchno.20260508 1g In stock Shanghai Inquiry
Batchno.20260115 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250720 5g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
  • Product code: SSC-178606
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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: 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 68971-82-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry

68971-82-4 / 5,11,17,23,29,35,41,47-octatert-butylnonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-49,50,51,52,53,54,55,56-octol

Standard CAS: 68971-82-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
68971-82-4
Multi CAS
Yes
Molecular Formula
C88H112O8
Molecular Weight
1297.800000
Exact Mass
1296.835721
InChI
InChI=1S/C88H112O8/c1-81(2,3)65-33-49-25-51-35-66(82(4,5)6)37-53(74(51)90)27-55-39-68(84(10,11)12)41-57(76(55)92)29-59-43-70(86(16,17)18)45-61(78(59)94)31-63-47-72(88(22,23)24)48-64(80(63)96)32-62-46-71(87(19,20)21)44-60(79(62)95)30-58-42-69(85(13,14)15)40-56(77(58)93)28-54-38-67(83(7,8)9)36-52(75(54)91)26-50(34-65)73(49)89/h33-48,89-96H,25-32H2,1-24H3
InChIKey
OLZFZIXORGGLLS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
96
Aromatic heavy atom count
48
Fraction Csp3
0.45
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
8
Molar refractivity
396.9
TPSA
161.84

LogP / Solubility

WLOGP
20.75
MLOGP
18.39
XLogP3
25.9
Consensus LogP
21.68
Log S (ESOL)
-21.33
Class (ESOL)
Insoluble
Log S (Ali)
-25.18
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-25.32
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
4.1

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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