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CAS 852821-06-8 (4AS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione molecular structure lightbox
CAS RN: 852821-06-8

(4AS,8aS,9S)-3-(benzyloxy)-4a-((tert-butyldimethylsilyl)oxy)-9-(dimethylamino)-8a,9-dihydronaphtho[2,3-d]isoxazole-4,5(4aH,8H)-dione

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251109 100mg In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260106 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
Batchno.20250423 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260101 250mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260511 5g In stock Shanghai Inquiry
  • Product code: SSC-193606
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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: ＞97%
  • 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 852821-06-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

852821-06-8 / (4aS,8aS,9S)-4a-[tert-butyl(dimethyl)silyl]oxy-9-(dimethylamino)-3-phenylmethoxy-8a,9-dihydro-8H-benzo[f][1,2]benzoxazole-4,5-dione

Standard CAS: 852821-06-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
852821-06-8
Multi CAS
Yes
Molecular Formula
C26H34N2O5Si
Molecular Weight
482.600000
Exact Mass
482.223699
InChI
InChI=1S/C26H34N2O5Si/c1-25(2,3)34(6,7)33-26-18(14-11-15-19(26)29)21(28(4)5)22-20(23(26)30)24(27-32-22)31-16-17-12-9-8-10-13-17/h8-13,15,18,21H,14,16H2,1-7H3/t18-,21-,26-/m0/s1
InChIKey
SLXLVVLJLQJWFG-JCWFFFCVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
11
Fraction Csp3
0.5
Rotatable bonds
6
H-bond acceptors
7
Molar refractivity
131.3
TPSA
81.87

LogP / Solubility

WLOGP
4.96
MLOGP
4.4
XLogP3
4.96
Consensus LogP
4.77
Log S (ESOL)
-5.8
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.63
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.14

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
4.5

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