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CAS 84828-97-7 1-((6aR,8R,9aR)-2,2,4,4-tetraisopropyl-9-oxotetrahydro-6H-furo[3,2-f ][1,3,5,2,4]trioxadisilocin-8-yl)pyriMidine-2,4(1H,3H)-dione molecular structure lightbox
CAS RN: 84828-97-7

1-((6aR,8R,9aR)-2,2,4,4-tetraisopropyl-9-oxotetrahydro-6H-furo[3,2-f ][1,3,5,2,4]trioxadisilocin-8-yl)pyriMidine-2,4(1H,3H)-dione

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260215 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-192481
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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 84828-97-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

84828-97-7 / 1-[(6aR,8R,9aR)-9-oxo-2,2,4,4-tetra(propan-2-yl)-6a,9a-dihydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione

Standard CAS: 84828-97-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
84828-97-7
Multi CAS
Yes
Molecular Formula
C21H36N2O7Si2
Molecular Weight
484.700000
Exact Mass
484.206105
InChI
InChI=1S/C21H36N2O7Si2/c1-12(2)31(13(3)4)27-11-16-19(29-32(30-31,14(5)6)15(7)8)18(25)20(28-16)23-10-9-17(24)22-21(23)26/h9-10,12-16,19-20H,11H2,1-8H3,(H,22,24,26)/t16-,19-,20-/m1/s1
InChIKey
TWLMWUCVJNOKKT-NSISKUIASA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.76
Rotatable bonds
5
H-bond acceptors
8
H-bond donors
1
Molar refractivity
124.05
TPSA
108.85

LogP / Solubility

WLOGP
2.96
MLOGP
2.64
XLogP3
2.96
Consensus LogP
2.85
Log S (ESOL)
-4.52
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.67
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.87
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.58

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4

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