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CAS 1197180-13-4 Triphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)silane molecular structure lightbox
CAS RN: 1197180-13-4

Triphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)silane

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250302 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1197180-13-4
  • Purity/Analytical Methods: >99.0%
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1197180-13-4 / triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

Triphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)silane | triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane | triphenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane

Standard CAS: 1197180-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1197180-13-4
Multi CAS
No
Molecular Formula
C30H31BO2Si
Molecular Weight
462.500000
Exact Mass
462.218637
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H31BO2Si/c1-29(2)30(3,4)33-31(32-29)24-20-22-28(23-21-24)34(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27/h5-23H,1-4H3
InChIKey
FDBXANUHHVHRPQ-UHFFFAOYSA-N
Synonyms
Triphenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)silane triphenyl-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane triphenyl[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]silane SCHEMBL21190370 MFCD34621668

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
24
Fraction Csp3
0.2
Rotatable bonds
5
H-bond acceptors
2
Molar refractivity
145.77
TPSA
18.46

LogP / Solubility

WLOGP
3.36
MLOGP
2.99
XLogP3
3.36
Consensus LogP
3.24
Log S (ESOL)
-5.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.78
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.06
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.15

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
3.5

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