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CAS 321735-68-6 tris(4-bromo-2,3,5,6-tetramethylphenyl)borane molecular structure lightbox
CAS RN: 321735-68-6

tris(4-bromo-2,3,5,6-tetramethylphenyl)borane

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250612 100mg In stock Shanghai Inquiry
Batchno.20251228 1g In stock Shanghai Inquiry
Batchno.20250404 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS321735-68-6
  • Purity/Analytical Methods: >99.0%
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321735-68-6 / tris(4-bromo-2,3,5,6-tetramethylphenyl)borane

Standard CAS: 321735-68-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
321735-68-6
Multi CAS
No
Molecular Formula
C30H36BBR3
Molecular Weight
647.100000
Exact Mass
646.043970
InChI
InChI=1S/C30H36BBr3/c1-13-19(7)28(32)20(8)14(2)25(13)31(26-15(3)21(9)29(33)22(10)16(26)4)27-17(5)23(11)30(34)24(12)18(27)6/h1-12H3
InChIKey
CDDHNGCDCAKILA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.4
Rotatable bonds
3
Molar refractivity
163.93
TPSA
0.0000

LogP / Solubility

WLOGP
8.19
MLOGP
7.26
XLogP3
8.19
Consensus LogP
7.88
Log S (ESOL)
-9.21
Class (ESOL)
Insoluble
Log S (Ali)
-10.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.03
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.85

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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