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CAS 67217-55-4 Mono-6-O-(p-toluenesulfonyl)-β-cyclodextrin molecular structure lightbox
CAS RN: 67217-55-4

Mono-6-O-(p-toluenesulfonyl)-β-cyclodextrin

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 100g Out of stock Inquiry
Batchno.20251027 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250731 1g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250317 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20251028 25g In stock Shanghai, Tianjin Inquiry
Batchno.20260314 5g In stock Shanghai, Shenzhen Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250404 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong, Chongqing Inquiry
  • Product code: SSC-176856
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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: 85%
  • 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 67217-55-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 85% 0 Out of Stock Shanghai Inquiry

67217-55-4 / [(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,15,20,25,30,35-hexakis(hydroxymethyl)-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]nonatetracontan-10-yl]methyl 4-methylbenzenesulfonate

Standard CAS: 67217-55-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67217-55-4
Multi CAS
Yes
Molecular Formula
C49H76O37S
Molecular Weight
1289.200000
Exact Mass
1288.378615
InChI
InChI=1S/C49H76O37S/c1-13-2-4-14(5-3-13)87(70,71)72-12-21-42-28(62)35(69)49(79-21)85-41-20(11-55)77-47(33(67)26(41)60)83-39-18(9-53)75-45(31(65)24(39)58)81-37-16(7-51)73-43(29(63)22(37)56)80-36-15(6-50)74-44(30(64)23(36)57)82-38-17(8-52)76-46(32(66)25(38)59)84-40-19(10-54)78-48(86-42)34(68)27(40)61/h2-5,15-69H,6-12H2,1H3/t15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m1/s1
InChIKey
URYLJCBFCXEADB-XISQNVKBSA-N

Computed Properties

Structural Parameters

Heavy atom count
87
Aromatic heavy atom count
6
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
37
H-bond donors
20
Molar refractivity
265.66
TPSA
577.19

LogP / Solubility

WLOGP
-13.51
MLOGP
-11.76
XLogP3
-13
Consensus LogP
-12.76
Log S (ESOL)
1.29
Class (ESOL)
Highly soluble
Log S (Ali)
-0.38
Class (Ali)
Very soluble
Log S (SILICOS-IT)
1.97
Class (SILICOS-IT)
Highly 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)
-20.18

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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