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CAS 23739-88-0 Triacetyl-β-cyclodextrin molecular structure lightbox
CAS RN: 23739-88-0

Triacetyl-β-cyclodextrin

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250910 1g Out of stock Inquiry
Batchno.20260426 250mg Out of stock Inquiry
Batchno.20250524 5g Out of stock Inquiry
  • Product code: SSC-115336
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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: 5g
  • 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 23739-88-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥97% 0 Out of Stock Hong Kong Inquiry

23739-88-0 / [(1R,3R,5R,6R,8R,10R,11R,13R,15R,16R,18R,20R,21R,23R,25R,26R,28R,30R,31R,33R,35R,36S,37R,38S,39R,40S,41R,42S,43R,44S,45R,46S,47R,48S,49R)-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecaacetyloxy-10,15,20,25,30,35-hexakis(acetyloxymethyl)-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-5-yl]methyl acetate

Standard CAS: 23739-88-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23739-88-0
Multi CAS
No
Molecular Formula
C84H112O56
Molecular Weight
2017.800000
Exact Mass
2016.591622
SMILES
CC(=O)OC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3OC(=O)C)OC(=O)C)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4OC(=O)C)OC(=O)C)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5OC(=O)C)OC(=O)C)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6OC(=O)C)OC(=O)C)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7OC(=O)C)OC(=O)C)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8OC(=O)C)OC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C84H112O56/c1-29(85)106-22-50-57-64(113-36(8)92)71(120-43(15)99)78(127-50)135-58-51(23-107-30(2)86)129-80(73(122-45(17)101)65(58)114-37(9)93)137-60-53(25-109-32(4)88)131-82(75(124-47(19)103)67(60)116-39(11)95)139-62-55(27-111-34(6)90)133-84(77(126-49(21)105)69(62)118-41(13)97)140-63-56(28-112-35(7)91)132-83(76(125-48(20)104)70(63)119-42(14)98)138-61-54(26-110-33(5)89)130-81(74(123-46(18)102)68(61)117-40(12)96)136-59-52(24-108-31(3)87)128-79(134-57)72(121-44(16)100)66(59)115-38(10)94/h50-84H,22-28H2,1-21H3/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-/m1/s1
InChIKey
NOPKOJDDVCBPTP-XEHVGNMASA-N

Computed Properties

Structural Parameters

Heavy atom count
140
Fraction Csp3
0.75
Rotatable bonds
28
H-bond acceptors
56
Molar refractivity
428.93
TPSA
681.52

LogP / Solubility

WLOGP
-3.24
MLOGP
-2.64
XLogP3
-3
Consensus LogP
-2.96
Log S (ESOL)
-8.46
Class (ESOL)
Insoluble
Log S (Ali)
-13.76
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.44
Class (SILICOS-IT)
Insoluble

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)
-17.33

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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