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CAS 79309-68-5 1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(2E)-3-(trimethylsilyl)-2-propen-1-yl]- molecular structure lightbox
CAS RN: 79309-68-5

1,3,2-Dioxaborolane, 4,4,5,5-tetramethyl-2-[(2E)-3-(trimethylsilyl)-2-propen-1-yl]-

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251013 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS79309-68-5
  • Purity/Analytical Methods: >99.0%
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79309-68-5 / trimethyl-[(E)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-1-enyl]silane

Standard CAS: 79309-68-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79309-68-5
Multi CAS
Yes
Molecular Formula
BC12H25O2Si
Molecular Weight
240.220000
Exact Mass
240.171687
InChI
InChI=1S/C12H25BO2Si/c1-11(2)12(3,4)15-13(14-11)9-8-10-16(5,6)7/h8,10H,9H2,1-7H3/b10-8+
InChIKey
DKUNISUNFKZEQT-CSKARUKUSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Fraction Csp3
0.83
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
73.38
TPSA
18.46

LogP / Solubility

WLOGP
3.51
MLOGP
3.1
XLogP3
3.51
Consensus LogP
3.37
Log S (ESOL)
-3.34
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly 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)
-1.69

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
1.5

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