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CAS 204909-70-6 C12H24O4Si molecular structure lightbox
CAS RN: 204909-70-6

C12H24O4Si

  • Product code: SSC-096410
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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 204909-70-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

204909-70-6 / (3R,3aR,6S,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol

Standard CAS: 204909-70-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204909-70-6
Multi CAS
No
Molecular Formula
C12H24O4Si
Molecular Weight
260.400000
Exact Mass
260.144386
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2O
InChI
InChI=1S/C12H24O4Si/c1-12(2,3)17(4,5)16-9-7-15-10-8(13)6-14-11(9)10/h8-11,13H,6-7H2,1-5H3/t8-,9+,10-,11-/m1/s1
InChIKey
AKDSNJPFRALERM-LMLFDSFASA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.56
TPSA
47.92

LogP / Solubility

WLOGP
1.54
MLOGP
1.36
XLogP3
1.54
Consensus LogP
1.48
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.22

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5

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