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CAS 211561-04-5 4-Sulfothiacalix[4]arene Sodium Salt molecular structure lightbox
CAS RN: 211561-04-5

4-Sulfothiacalix[4]arene Sodium Salt

Product Availability

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5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250602 100mg Out of stock Inquiry
Batchno.20260206 1g Out of stock Inquiry
Batchno.20260427 250mg Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250803 1g In stock Shanghai, Shandong Inquiry
Batchno.20260208 200mg In stock Shanghai, Chongqing Inquiry
  • Product code: SSC-101057
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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 211561-04-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

211561-04-5 / tetrasodium;25,26,27,28-tetrahydroxy-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-5,11,17,23-tetrasulfonate

Standard CAS: 211561-04-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
211561-04-5
Multi CAS
No
Molecular Formula
C24H12Na4O16S8
Molecular Weight
904.800000
Exact Mass
903.748181
SMILES
C1=C(C=C2C(=C1SC3=CC(=CC(=C3O)SC4=C(C(=CC(=C4)S(=O)(=O)[O-])SC5=C(C(=CC(=C5)S(=O)(=O)[O-])S2)O)O)S(=O)(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]
InChI
InChI=1S/C24H16O16S8.4Na/c25-21-13-1-9(45(29,30)31)2-14(21)42-17-5-11(47(35,36)37)6-18(23(17)27)44-20-8-12(48(38,39)40)7-19(24(20)28)43-16-4-10(46(32,33)34)3-15(41-13)22(16)26;;;;/h1-8,25-28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,38,39,40);;;;/q;4*+1/p-4
InChIKey
LWAHXJLVBWBJLL-UHFFFAOYSA-J

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
24
Rotatable bonds
4
H-bond acceptors
20
H-bond donors
4
Molar refractivity
160.77
TPSA
309.72

LogP / Solubility

WLOGP
-8.94
MLOGP
-7.78
XLogP3
-8.94
Consensus LogP
-8.55
Log S (ESOL)
0.1
Class (ESOL)
Highly soluble
Log S (Ali)
-0.52
Class (Ali)
Very soluble
Log S (SILICOS-IT)
1.4
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)
-14.59

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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