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CAS 122406-45-5 1,3-DIMETHOXY-4-TERT-BUTYLCALIX(4)ARENE molecular structure lightbox
CAS RN: 122406-45-5

1,3-DIMETHOXY-4-TERT-BUTYLCALIX(4)ARENE

Product Availability

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250322 1g Out of stock Inquiry
Batchno.20260330 250mg In stock Shanghai, Tianjin, Wuhan Inquiry
Batchno.20250609 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250610 5g Out of stock Inquiry
  • Product code: SSC-025331
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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 122406-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

122406-45-5 / 5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[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-25,27-diol

Standard CAS: 122406-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122406-45-5
Multi CAS
No
Molecular Formula
C46H60O4
Molecular Weight
677.000000
Exact Mass
676.449160
SMILES
CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OC)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OC)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C46H60O4/c1-43(2,3)35-19-27-15-31-23-37(45(7,8)9)25-33(41(31)49-13)17-29-21-36(44(4,5)6)22-30(40(29)48)18-34-26-38(46(10,11)12)24-32(42(34)50-14)16-28(20-35)39(27)47/h19-26,47-48H,15-18H2,1-14H3
InChIKey
SDNQRJYYUPMBIV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
24
Fraction Csp3
0.48
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
208.23
TPSA
58.92

LogP / Solubility

WLOGP
10.98
MLOGP
9.72
XLogP3
13.6
Consensus LogP
11.43
Log S (ESOL)
-11.18
Class (ESOL)
Insoluble
Log S (Ali)
-13.04
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.42
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.95

Drug-likeness / Medicinal Chemistry

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

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