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CAS 121846-11-5 3-O-tert-ButyldiMethylsilyl-4,6-O-isopropylidene-D-glucal molecular structure lightbox
CAS RN: 121846-11-5

3-O-tert-ButyldiMethylsilyl-4,6-O-isopropylidene-D-glucal

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260225 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS121846-11-5
  • Purity/Analytical Methods: >99.0%
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121846-11-5 / [(4aR,8R,8aR)-2,2-dimethyl-4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxin-8-yl]oxy-tert-butyl-dimethylsilane

Standard CAS: 121846-11-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121846-11-5
Multi CAS
No
Molecular Formula
C15H28O4Si
Molecular Weight
300.460000
Exact Mass
300.175686
SMILES
CC1(OC[C@@H]2[C@@H](O1)[C@@H](C=CO2)O[Si](C)(C)C(C)(C)C)C
InChI
InChI=1S/C15H28O4Si/c1-14(2,3)20(6,7)19-11-8-9-16-12-10-17-15(4,5)18-13(11)12/h8-9,11-13H,10H2,1-7H3/t11-,12-,13+/m1/s1
InChIKey
PYHWHKQRALSXOY-UPJWGTAASA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Fraction Csp3
0.87
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
80.99
TPSA
36.92

LogP / Solubility

WLOGP
3.44
MLOGP
3.04
XLogP3
3.44
Consensus LogP
3.31
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3

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