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CAS 97600-39-0 Tetraethyl 4-tert-Butylcalix[4]arene-O,O’,O”,O”’-tetraacetate molecular structure lightbox
CAS RN: 97600-39-0

Tetraethyl 4-tert-Butylcalix[4]arene-O,O’,O”,O”’-tetraacetate

Product Availability

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14 package records13 with current stock4 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260426 100g In stock Inquiry
Batchno.20250721 10g In stock Inquiry
Batchno.20250607 1g In stock Inquiry
Batchno.20250525 250mg In stock Inquiry
Batchno.20250302 25g In stock Inquiry
Batchno.20250623 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250915 100mg Out of stock 8-10 business days Inquiry
Batchno.20260604 10mg In stock Shanghai, Shandong Inquiry
Batchno.20260326 50mg In stock Shanghai, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250111 250mg / 1g / 5g / 25g / 100g Confirm by inquiry Shanghai, Guangdong, Chongqing, Hebei, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250104 1g In stock Shanghai Inquiry
Batchno.20250901 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250502 25g In stock Shanghai Inquiry
Batchno.20250602 5g In stock Shanghai Inquiry
  • Product code: SSC-212329
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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: ＞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 97600-39-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

97600-39-0 / ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate

Standard CAS: 97600-39-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
97600-39-0
Multi CAS
Yes
Molecular Formula
C60H80O12
Molecular Weight
993.300000
Exact Mass
992.564978
InChI
InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3
InChIKey
HZHADWCIBZZJNV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
72
Aromatic heavy atom count
24
Fraction Csp3
0.53
Rotatable bonds
16
H-bond acceptors
12
Molar refractivity
280.3
TPSA
142.12

LogP / Solubility

WLOGP
11.32
MLOGP
10.06
XLogP3
15.4
Consensus LogP
12.26
Log S (ESOL)
-12.32
Class (ESOL)
Insoluble
Log S (Ali)
-15.88
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.43
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.74

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
10

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