CAS RN: 873426-76-7
tert-butyldimethyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)silane
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260514 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS873426-76-7
- Purity/Analytical Methods: >99.0%
873426-76-7 / tert-butyl-dimethyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]silane
Basic Information
CAS
873426-76-7
Multi CAS
No
Molecular Formula
BC18H31O3Si
Molecular Weight
334.300000
Exact Mass
334.213552
InChI
InChI=1S/C18H31BO3Si/c1-16(2,3)23(8,9)20-15-12-10-14(11-13-15)19-21-17(4,5)18(6,7)22-19/h10-13H,1-9H3
InChIKey
HUHNCIBKFJVPQH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
99.98
TPSA
27.69
LogP / Solubility
WLOGP
4.37
MLOGP
3.86
XLogP3
4.37
Consensus LogP
4.2
Log S (ESOL)
-4.66
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.82
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
No
Log Kp (skin permeation)
-1.66
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
2.5
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