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CAS 65025-95-8 4-(T-BUTYLDI-ME-SIO-ME)HEXA-H-5-(T-H-PYR AN -2-YLOXY)-CYCLOPENTA(B)FURAN-2-ON, 97 molecular structure lightbox
CAS RN: 65025-95-8

4-(T-BUTYLDI-ME-SIO-ME)HEXA-H-5-(T-H-PYR AN -2-YLOXY)-CYCLOPENTA(B)FURAN-2-ON, 97

  • Product code: SSC-174683
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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 65025-95-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

65025-95-8 / 4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

Standard CAS: 65025-95-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65025-95-8
Multi CAS
Yes
Molecular Formula
C19H34O5Si
Molecular Weight
370.600000
Exact Mass
370.217551
InChI
InChI=1S/C19H34O5Si/c1-19(2,3)25(4,5)22-12-14-13-10-17(20)23-15(13)11-16(14)24-18-8-6-7-9-21-18/h13-16,18H,6-12H2,1-5H3/t13-,14-,15+,16-,18?/m1/s1
InChIKey
JJMNYDDYIZNLIX-GRDYTRHSSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.95
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
97.71
TPSA
53.99

LogP / Solubility

WLOGP
3.87
MLOGP
3.43
XLogP3
3.87
Consensus LogP
3.72
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.23

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
5

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