CAS RN: 935480-19-6

4-(1,1-Dimethylethyl)-N-[4-(1,1-dimethylethyl)phenyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenamine

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250709 10g In stock Shanghai, Shenzhen Inquiry
Batchno.20250816 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250710 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260315 250mg / 1g / 5g / 25g Out of stock 5-7 business days Inquiry
Batchno.20260322 5g In stock Shanghai, Shenzhen Inquiry
  • Product code: starshine_CAS935480-19-6
  • Purity/Analytical Methods: >99.0%
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935480-19-6 / N,N-bis(4-tert-butylphenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

Standard CAS: 935480-19-6 Multi CAS: No

Basic Information

CAS
935480-19-6
Multi CAS
No
Molecular Formula
BC32H42NO2
Molecular Weight
483.500000
Exact Mass
483.330860
InChI
InChI=1S/C32H42BNO2/c1-29(2,3)23-11-17-26(18-12-23)34(27-19-13-24(14-20-27)30(4,5)6)28-21-15-25(16-22-28)33-35-31(7,8)32(9,10)36-33/h11-22H,1-10H3
InChIKey
MIYADYBMZVAHBG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
154.24
TPSA
21.7

LogP / Solubility

WLOGP
8.05
MLOGP
7.12
XLogP3
8.05
Consensus LogP
7.74
Log S (ESOL)
-8.02
Class (ESOL)
Insoluble
Log S (Ali)
-9.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.96
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.05

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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