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CAS 98169-85-8 6A-Azido-6A-deoxy-β-cyclodextrin molecular structure lightbox
CAS RN: 98169-85-8

6A-Azido-6A-deoxy-β-cyclodextrin

Product Availability

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7 package records6 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 100mg In stock Inquiry
Batchno.20250517 10mg In stock Inquiry
Batchno.20250713 25mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250626 100mg In stock Shandong, Hebei Inquiry
Batchno.20251106 10mg In stock Shanghai, Shandong Inquiry
Batchno.20250808 500mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250228 10mg Out of stock Inquiry
  • Product code: SSC-212582
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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 98169-85-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g 85% 0 Out of Stock Shanghai Inquiry

98169-85-8 / (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)-5-(azidomethyl)-10,15,20,25,30,35-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]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol

Standard CAS: 98169-85-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
98169-85-8
Multi CAS
Yes
Molecular Formula
C42H69N3O34
Molecular Weight
1160.000000
Exact Mass
1159.376246
InChI
InChI=1S/C42H69N3O34/c43-45-44-1-8-29-15(52)22(59)36(66-8)74-30-9(2-46)68-38(24(61)17(30)54)76-32-11(4-48)70-40(26(63)19(32)56)78-34-13(6-50)72-42(28(65)21(34)58)79-35-14(7-51)71-41(27(64)20(35)57)77-33-12(5-49)69-39(25(62)18(33)55)75-31-10(3-47)67-37(73-29)23(60)16(31)53/h8-42,46-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,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-/m1/s1
InChIKey
CNXCXSMYMLPAMS-FOUAGVGXSA-N

Computed Properties

Structural Parameters

Heavy atom count
79
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
35
H-bond donors
20
Molar refractivity
235.36
TPSA
582.58

LogP / Solubility

WLOGP
-13.91
MLOGP
-12.13
XLogP3
-13.4
Consensus LogP
-13.15
Log S (ESOL)
2.26
Class (ESOL)
Highly soluble
Log S (Ali)
0.97
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
3.39
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)
-19.67

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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