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CAS 1900755-49-8 (1-Tritylimidazol-4-yl)boronic acid molecular structure lightbox
CAS RN: 1900755-49-8

(1-Tritylimidazol-4-yl)boronic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250125 50mg / 100mg / 250mg / 1g / 5g / 10g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-089022
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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: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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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 1900755-49-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1900755-49-8 / (1-tritylimidazol-4-yl)boronic acid

Standard CAS: 1900755-49-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1900755-49-8
Multi CAS
No
Molecular Formula
C22H19BN2O2
Molecular Weight
354.200000
Exact Mass
354.153958
SMILES
B(C1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(O)O
InChI
InChI=1S/C22H19BN2O2/c26-23(27)21-16-25(17-24-21)22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,26-27H
InChIKey
QTDGLFQIBCUAAS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
23
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
106.66
TPSA
58.28

LogP / Solubility

WLOGP
2.4
MLOGP
2.13
XLogP3
2.4
Consensus LogP
2.31
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.56
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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