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CAS 160661-60-9 Heptakis-(6-mercapto-6-deoxy)-β-cyclodextrin molecular structure lightbox
CAS RN: 160661-60-9

Heptakis-(6-mercapto-6-deoxy)-β-cyclodextrin

Product Availability

Choose a grade to view its available package options.

7 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250514 100mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250106 100mg Out of stock Inquiry
Batchno.20260403 1g In stock Shanghai, Guangdong Inquiry
Batchno.20260111 1g In stock Shanghai, Shenzhen Inquiry
Batchno.20250315 250mg In stock Shanghai, Chongqing Inquiry
Batchno.20251026 250mg Out of stock Inquiry
Batchno.20260302 5g In stock Shanghai Inquiry
  • Product code: SSC-068501
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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: ≥95%
  • 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 160661-60-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

160661-60-9 / 5,10,15,20,25,30,35-heptakis(sulfanylmethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Standard CAS: 160661-60-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
160661-60-9
Multi CAS
No
Molecular Formula
C42H70O28S7
Molecular Weight
1247.500000
Exact Mass
1246.209860
SMILES
C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(C(C7O)O)OC8C(OC(O2)C(C8O)O)CS)CS)CS)CS)CS)CS)O)O)S
InChI
InChI=1S/C42H70O28S7/c43-15-22(50)36-57-8(1-71)29(15)64-37-23(51)16(44)31(10(3-73)58-37)66-39-25(53)18(46)33(12(5-75)60-39)68-41-27(55)20(48)35(14(7-77)62-41)70-42-28(56)21(49)34(13(6-76)63-42)69-40-26(54)19(47)32(11(4-74)61-40)67-38-24(52)17(45)30(65-36)9(2-72)59-38/h8-56,71-77H,1-7H2
InChIKey
MAQZFSOYQPJIOQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
77
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
35
H-bond donors
21
Molar refractivity
275.8
TPSA
412.44

LogP / Solubility

WLOGP
-8.67
MLOGP
-7.5
XLogP3
-8.2
Consensus LogP
-8.12
Log S (ESOL)
-1.65
Class (ESOL)
Soluble
Log S (Ali)
-3.53
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-16.48

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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