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CAS 87316-22-1 6-O-(TERT-BUTYLDIPHENYLSILYL)-D-GLUCAL molecular structure lightbox
CAS RN: 87316-22-1

6-O-(TERT-BUTYLDIPHENYLSILYL)-D-GLUCAL

  • Product code: SSC-197133
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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 87316-22-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

87316-22-1 / (2R,3S,4R,5R)-6-[tert-butyl(diphenyl)silyl]oxy-2,3,4,5-tetrahydroxyhexanal

Standard CAS: 87316-22-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
87316-22-1
Multi CAS
Yes
Molecular Formula
C22H30O6Si
Molecular Weight
418.600000
Exact Mass
418.181165
InChI
InChI=1S/C22H28O4Si/c1-22(2,3)27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)26-16-20-21(24)19(23)14-15-25-20/h4-15,19-21,23-24H,16H2,1-3H3
InChIKey
HIVBZUOTQALJIU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.41
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
4
Molar refractivity
113.66
TPSA
107.22

LogP / Solubility

WLOGP
0.21
MLOGP
0.21
XLogP3
0.21
Consensus LogP
0.21
Log S (ESOL)
-2.28
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.63
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-5.13

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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