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CAS 123155-03-3 HEPTAKIS-6-(DIMETHYL-TERT-BUTYLSILYL)-BETA-CYCLODEXTRIN molecular structure lightbox
CAS RN: 123155-03-3

HEPTAKIS-6-(DIMETHYL-TERT-BUTYLSILYL)-BETA-CYCLODEXTRIN

Product Availability

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250119 100mg In stock Shanghai Inquiry
Batchno.20260601 100mg / 250mg Out of stock 5-7 business days Inquiry
Batchno.20251111 1g In stock Shanghai Inquiry
Batchno.20251119 250mg In stock Shanghai Inquiry
  • Product code: SSC-026761
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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: ≥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 123155-03-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

123155-03-3 / (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)-5,10,15,20,25,30,35-heptakis[[tert-butyl(dimethyl)silyl]oxymethyl]-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: 123155-03-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
123155-03-3
Multi CAS
No
Molecular Formula
C84H168O35Si7
Molecular Weight
1934.800000
Exact Mass
1932.975103
SMILES
CC(C)(C)[Si](C)(C)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]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@H](O2)[C@@H]([C@H]8O)O)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)CO[Si](C)(C)C(C)(C)C)O)O
InChI
InChI=1S/C84H168O35Si7/c1-78(2,3)120(22,23)99-36-43-64-50(85)57(92)71(106-43)114-65-44(37-100-121(24,25)79(4,5)6)108-73(59(94)52(65)87)116-67-46(39-102-123(28,29)81(10,11)12)110-75(61(96)54(67)89)118-69-48(41-104-125(32,33)83(16,17)18)112-77(63(98)56(69)91)119-70-49(42-105-126(34,35)84(19,20)21)111-76(62(97)55(70)90)117-68-47(40-103-124(30,31)82(13,14)15)109-74(60(95)53(68)88)115-66-45(38-101-122(26,27)80(7,8)9)107-72(113-64)58(93)51(66)86/h43-77,85-98H,36-42H2,1-35H3/t43-,44-,45-,46-,47-,48-,49-,50-,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-/m1/s1
InChIKey
SJYXDVWYNHANDJ-OJPCCTPGSA-N

Computed Properties

Structural Parameters

Heavy atom count
126
Fraction Csp3
1
Rotatable bonds
21
H-bond acceptors
35
H-bond donors
14
Molar refractivity
480.88
TPSA
477.05

LogP / Solubility

WLOGP
5.98
MLOGP
5.47
XLogP3
5.98
Consensus LogP
5.81
Log S (ESOL)
-14.21
Class (ESOL)
Insoluble
Log S (Ali)
-19.74
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.72
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-10.28

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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