[email protected]
CAS 153035-55-3 [4-[tris(4-boronophenyl)methyl]phenyl]boronic acid molecular structure lightbox
CAS RN: 153035-55-3

[4-[tris(4-boronophenyl)methyl]phenyl]boronic acid

Product Availability

Choose a grade to view its available package options.

5 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20260210 1g In stock Shanghai Inquiry
Batchno.20250104 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250124 5g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260107 100mg / 500mg / 1g / 5g Confirm by inquiry Shanghai, Hebei 5-7 business days Inquiry
  • Product code: SSC-062656
GET A QUOTE
Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 153035-55-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

153035-55-3 / [4-[tris(4-boronophenyl)methyl]phenyl]boronic acid

Standard CAS: 153035-55-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
153035-55-3
Multi CAS
No
Molecular Formula
C25H24B4O8
Molecular Weight
495.700000
Exact Mass
496.184338
SMILES
B(C1=CC=C(C=C1)C(C2=CC=C(C=C2)B(O)O)(C3=CC=C(C=C3)B(O)O)C4=CC=C(C=C4)B(O)O)(O)O
InChI
InChI=1S/C25H24B4O8/c30-26(31)21-9-1-17(2-10-21)25(18-3-11-22(12-4-18)27(32)33,19-5-13-23(14-6-19)28(34)35)20-7-15-24(16-8-20)29(36)37/h1-16,30-37H
InChIKey
HUKKNLZHFLXUKJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
24
Fraction Csp3
0.04
Rotatable bonds
8
H-bond acceptors
8
H-bond donors
8
Molar refractivity
144.05
TPSA
161.84

LogP / Solubility

WLOGP
-3.21
MLOGP
-2.79
XLogP3
-3.21
Consensus LogP
-3.07
Log S (ESOL)
-0.84
Class (ESOL)
Very soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.02

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

Customers Also Viewed

Get In Touch

Contact Us