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CAS 30754-23-5 HEPTAKIS-6-IODO-6-DEOXY-BETA-CYCLODEXTRIN molecular structure lightbox
CAS RN: 30754-23-5

HEPTAKIS-6-IODO-6-DEOXY-BETA-CYCLODEXTRIN

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250409 1g In stock Shanghai, Shandong Inquiry
Batchno.20250512 250mg In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20251112 50mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250417 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20260624 1g In stock Shanghai Inquiry
Batchno.20250906 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250504 5g In stock Shanghai Inquiry
  • Product code: SSC-135712
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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: ＞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 30754-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry

30754-23-5 / (1S,3S,6S,8R,11S,13S,16S,18S,21S,23S,26S,28S,31S,33S)-5,10,15,20,25,30,35-heptakis(iodomethyl)-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: 30754-23-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30754-23-5
Multi CAS
Yes
Molecular Formula
C42H63I7O28
Molecular Weight
1904.300000
Exact Mass
1903.681900
InChI
InChI=1S/C42H63I7O28/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-42,50-63H,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
YODKQJPYQJRHEQ-PVYQGTNRSA-N

Computed Properties

Structural Parameters

Heavy atom count
77
Fraction Csp3
1
Rotatable bonds
7
H-bond acceptors
28
H-bond donors
14
Molar refractivity
311.04
TPSA
412.44

LogP / Solubility

WLOGP
-5.13
MLOGP
-4.31
XLogP3
-2.5
Consensus LogP
-3.98
Log S (ESOL)
-7.95
Class (ESOL)
Insoluble
Log S (Ali)
-11.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.62
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
No
Log Kp (skin permeation)
-17.98

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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