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CAS 259886-51-6 CUCURBIT(8)URIL molecular structure lightbox
CAS RN: 259886-51-6

CUCURBIT(8)URIL

Product Availability

Choose a grade to view its available package options.

12 package records12 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250412 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251003 10g In stock Shanghai Inquiry
Batchno.20250107 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250527 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260309 25mg In stock Shanghai Inquiry
Batchno.20250420 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20260216 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20260320 1g In stock Shanghai, Shandong Inquiry
Batchno.20251208 25mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250330 500mg In stock Shanghai Inquiry
Batchno.20250927 5mg In stock Shandong Inquiry
  • Product code: SSC-122791
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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: 0.25g
  • 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 259886-51-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

259886-51-6 / 3,5,8,10,13,15,18,20,23,25,28,30,33,35,38,40,41,43,45,47,51,53,55,57,59,61,63,65,67,69,71,73-dotriacontazapentacosacyclo[35.3.3.36,7.311,12.316,17.321,22.326,27.331,32.22,41.236,43.13,40.15,8.110,13.115,18.120,23.125,28.130,33.135,38.145,51.147,73.153,55.157,59.161,63.165,67.169,71]octacontane-44,46,48,49,50,52,54,56,58,60,62,64,66,68,70,72-hexadecone

Standard CAS: 259886-51-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259886-51-6
Multi CAS
No
Molecular Formula
C48H48N32O16
Molecular Weight
1329.100000
Exact Mass
1328.392604
SMILES
C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)CN5C%13C%14N(C5=O)CN5C%15C%16N(C5=O)CN5C%17C(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C(=O)N%16CN%17C1=O
InChI
InChI=1S/C48H48N32O16/c81-33-49-1-50-18-20-54(34(50)82)4-58-22-24-62(38(58)86)8-66-26-28-70(42(66)90)12-74-30-32-78(46(74)94)15-77-31-29-73(45(77)93)11-69-27-25-65(41(69)89)7-61-23-21-57(37(61)85)3-53(33)19-17(49)51-2-52(18)36(84)56(20)6-60(22)40(88)64(24)10-68(26)44(92)72(28)14-76(30)48(96)80(32)16-79(31)47(95)75(29)13-71(27)43(91)67(25)9-63(23)39(87)59(21)5-55(19)35(51)83/h17-32H,1-16H2
InChIKey
CONWISUOKHSUDR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
96
Fraction Csp3
0.67
H-bond acceptors
16
Molar refractivity
283.66
TPSA
376.8

LogP / Solubility

WLOGP
-7.55
MLOGP
-6.51
XLogP3
-9.1
Consensus LogP
-7.72
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-2.03
Class (SILICOS-IT)
Moderately 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)
-16.19

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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