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CAS 844478-23-5 4-Sulfocalix[8]arene Hydrate molecular structure lightbox
CAS RN: 844478-23-5

4-Sulfocalix[8]arene Hydrate

Product Availability

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251124 1g In stock Shanghai, Shandong Inquiry
Batchno.20250408 5g In stock Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250503 100mg In stock Shanghai Inquiry
Batchno.20260323 1g Out of stock Inquiry
Batchno.20250808 250mg In stock Shanghai Inquiry
  • Product code: SSC-191934
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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 844478-23-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

844478-23-5 / 49,50,51,52,53,54,55,56-octahydroxynonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(48),3,5,7(56),9,11,13(55),15,17,19(54),21,23,25(53),27(52),28,30,33(51),34,36,39(50),40,42,45(49),46-tetracosaene-5,11,17,23,29,35,41,47-octasulfonic acid;hydrate

Standard CAS: 844478-23-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
844478-23-5
Multi CAS
No
Molecular Formula
C56H50O33S8
Molecular Weight
1507.500000
Exact Mass
1506.000003
InChI
InChI=1S/C56H48O32S8.H2O/c57-49-25-1-26-10-42(90(68,69)70)12-28(50(26)58)3-30-14-44(92(74,75)76)16-32(52(30)60)5-34-18-46(94(80,81)82)20-36(54(34)62)7-38-22-48(96(86,87)88)24-40(56(38)64)8-39-23-47(95(83,84)85)21-37(55(39)63)6-35-19-45(93(77,78)79)17-33(53(35)61)4-31-15-43(91(71,72)73)13-29(51(31)59)2-27(49)11-41(9-25)89(65,66)67;/h9-24,57-64H,1-8H2,(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88);1H2
InChIKey
ORHUKXAPVQBOQR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
97
Aromatic heavy atom count
48
Fraction Csp3
0.14
Rotatable bonds
8
H-bond acceptors
24
H-bond donors
16
Molar refractivity
329.43
TPSA
628.3

LogP / Solubility

WLOGP
3.52
MLOGP
3.25
XLogP3
3.52
Consensus LogP
3.43
Log S (ESOL)
-11.24
Class (ESOL)
Insoluble
Log S (Ali)
-14.46
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-9.42

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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