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CAS 204190-49-8 4-tert-Butylsulfonylcalix[4]arene molecular structure lightbox
CAS RN: 204190-49-8

4-tert-Butylsulfonylcalix[4]arene

Product Availability

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6 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260313 100mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260115 1g Out of stock Inquiry
Batchno.20250127 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260616 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20250825 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250924 200mg In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-096049
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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 204190-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

204190-49-8 / 5,11,17,23-tetratert-butyl-2,2,8,8,14,14,20,20-octaoxo-2lambda6,8lambda6,14lambda6,20lambda6-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-25,26,27,28-tetrol

Standard CAS: 204190-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204190-49-8
Multi CAS
No
Molecular Formula
C40H48O12S4
Molecular Weight
849.100000
Exact Mass
848.202862
SMILES
CC(C)(C)C1=CC2=C(C(=C1)S(=O)(=O)C3=CC(=CC(=C3O)S(=O)(=O)C4=CC(=CC(=C4O)S(=O)(=O)C5=C(C(=CC(=C5)C(C)(C)C)S2(=O)=O)O)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C40H48O12S4/c1-37(2,3)21-13-25-33(41)26(14-21)54(47,48)28-16-23(39(7,8)9)18-30(35(28)43)56(51,52)32-20-24(40(10,11)12)19-31(36(32)44)55(49,50)29-17-22(38(4,5)6)15-27(34(29)42)53(25,45)46/h13-20,41-44H,1-12H3
InChIKey
BOLKLFFOYGXSKT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
24
Fraction Csp3
0.4
Rotatable bonds
4
H-bond acceptors
12
H-bond donors
4
Molar refractivity
209.03
TPSA
217.48

LogP / Solubility

WLOGP
7.34
MLOGP
6.54
XLogP3
8.4
Consensus LogP
7.43
Log S (ESOL)
-10.05
Class (ESOL)
Insoluble
Log S (Ali)
-11.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
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)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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