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CAS 78092-53-2 4-tert-Butylcalix[6]arene molecular structure lightbox
CAS RN: 78092-53-2

4-tert-Butylcalix[6]arene

Product Availability

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250914 200mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Hebei, Shandong, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260625 1g Out of stock Inquiry
Batchno.20250718 25g Out of stock Inquiry
Batchno.20260203 5g Out of stock Inquiry
  • Product code: SSC-187608
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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 78092-53-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

78092-53-2 / 5,11,17,23,29,35-hexatert-butylheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol

Standard CAS: 78092-53-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
78092-53-2
Multi CAS
No
Molecular Formula
C66H84O6
Molecular Weight
973.400000
Exact Mass
972.626790
InChI
InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3
InChIKey
UOEYZAXKBKAKRO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
36
Fraction Csp3
0.45
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
6
Molar refractivity
297.68
TPSA
121.38

LogP / Solubility

WLOGP
15.56
MLOGP
13.79
XLogP3
19.4
Consensus LogP
16.25
Log S (ESOL)
-16.05
Class (ESOL)
Insoluble
Log S (Ali)
-18.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-18.9
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)
2.39

Drug-likeness / Medicinal Chemistry

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

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