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CAS 480438-74-2 TERT-BUTYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL CARBONATE molecular structure lightbox
CAS RN: 480438-74-2

TERT-BUTYL-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL CARBONATE

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3 package records2 with current stock2 grade groups
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Batchno.20260403 1g In stock Inquiry
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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250522 100mg / 250mg / 1g / 5g Out of stock 3-5 business days Inquiry
  • Product code: starshine_CAS480438-74-2
  • Purity/Analytical Methods: >99.0%
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480438-74-2 / tert-butyl [3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl] carbonate

Standard CAS: 480438-74-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
480438-74-2
Multi CAS
Yes
Molecular Formula
BC17H25O5
Molecular Weight
320.200000
Exact Mass
320.179504
InChI
InChI=1S/C17H25BO5/c1-15(2,3)21-14(19)20-13-10-8-9-12(11-13)18-22-16(4,5)17(6,7)23-18/h8-11H,1-7H3
InChIKey
UPAKXEPDVAHKPP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
89.02
TPSA
53.99

LogP / Solubility

WLOGP
3.3
MLOGP
2.92
XLogP3
3.3
Consensus LogP
3.17
Log S (ESOL)
-3.97
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.72
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)
-2.33

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
2.5

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