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CAS 851233-24-4 (4-(Bis(4-(tert-butyl)phenyl)amino)phenyl)boronic acid molecular structure lightbox
CAS RN: 851233-24-4

(4-(Bis(4-(tert-butyl)phenyl)amino)phenyl)boronic acid

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250822 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250309 1g In stock Shanghai Inquiry
Batchno.20250126 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250111 5g In stock Shanghai Inquiry
  • Product code: starshine_CAS851233-24-4
  • Purity/Analytical Methods: >99.0%
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851233-24-4 / [4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)phenyl]boronic acid

Standard CAS: 851233-24-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851233-24-4
Multi CAS
No
Molecular Formula
BC26H32NO2
Molecular Weight
401.300000
Exact Mass
401.252609
InChI
InChI=1S/C26H32BNO2/c1-25(2,3)19-7-13-22(14-8-19)28(24-17-11-21(12-18-24)27(29)30)23-15-9-20(10-16-23)26(4,5)6/h7-18,29-30H,1-6H3
InChIKey
IAMHKYJDEYFZNW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
128.35
TPSA
43.7

LogP / Solubility

WLOGP
5.43
MLOGP
4.8
XLogP3
5.43
Consensus LogP
5.22
Log S (ESOL)
-5.93
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.26
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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