[email protected]
CAS 259886-50-5 CUCURBIT(7)URIL molecular structure lightbox
CAS RN: 259886-50-5

CUCURBIT(7)URIL

Product Availability

Choose a grade to view its available package options.

10 package records10 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250307 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250924 10g In stock Shanghai Inquiry
Batchno.20251124 1g In stock Shanghai, Tianjin Inquiry
Batchno.20250813 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20251225 50mg In stock Shanghai, Tianjin Inquiry
Batchno.20260607 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250804 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250211 1g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250216 25mg In stock Shanghai, Shandong, Guangdong, Chongqing, Hebei Inquiry
Batchno.20260427 5g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-122790
GET A QUOTE
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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 259886-50-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shanghai Inquiry

259886-50-5 / 3,5,8,10,13,15,18,20,23,25,28,30,33,35,36,38,40,42,46,48,50,52,54,56,58,60,62,64-octacosazadocosacyclo[30.3.3.36,7.311,12.316,17.321,22.326,27.22,36.231,38.13,35.15,8.110,13.115,18.120,23.125,28.130,33.140,46.142,64.148,50.152,54.156,58.160,62]heptacontane-39,41,43,44,45,47,49,51,53,55,57,59,61,63-tetradecone

Standard CAS: 259886-50-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
259886-50-5
Multi CAS
No
Molecular Formula
C42H42N28O14
Molecular Weight
1163.000000
Exact Mass
1162.343528
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(N1C5=O)N1CN3C(=O)N4CN6C(=O)N7CN9C(=O)N2CN8C(=O)N%10CN%11C(=O)N%12CN%13C(=O)N%14CN%15C1=O
InChI
InChI=1S/C42H42N28O14/c71-29-43-1-44-16-18-48(30(44)72)4-52-20-22-56(34(52)76)8-60-24-26-64(38(60)80)12-68-28-27-67(41(68)83)11-63-25-23-59(37(63)79)7-55-21-19-51(33(55)75)3-47(29)17-15(43)45-2-46(16)32(74)50(18)6-54(20)36(78)58(22)10-62(24)40(82)66(26)14-70(28)42(84)69(27)13-65(25)39(81)61(23)9-57(21)35(77)53(19)5-49(17)31(45)73/h15-28H,1-14H2
InChIKey
ZDOBFUIMGBWEAB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
84
Fraction Csp3
0.67
H-bond acceptors
14
Molar refractivity
248.21
TPSA
329.7

LogP / Solubility

WLOGP
-6.61
MLOGP
-5.7
XLogP3
-8
Consensus LogP
-6.77
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-1.73
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)
-14.51

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us