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CAS 1251825-65-6 Boronic acid, B-(4,6-diphenyl-1,3,5-triazin-2-yl)- molecular structure lightbox
CAS RN: 1251825-65-6

Boronic acid, B-(4,6-diphenyl-1,3,5-triazin-2-yl)-

  • Product code: SSC-029889
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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 1251825-65-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1251825-65-6 / (4,6-diphenyl-1,3,5-triazin-2-yl)boronic acid

Standard CAS: 1251825-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1251825-65-6
Multi CAS
No
Molecular Formula
C15H12BN3O2
Molecular Weight
277.090000
Exact Mass
277.102257
SMILES
B(C1=NC(=NC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)(O)O
InChI
InChI=1S/C15H12BN3O2/c20-16(21)15-18-13(11-7-3-1-4-8-11)17-14(19-15)12-9-5-2-6-10-12/h1-10,20-21H
InChIKey
ISTQSZJUYOCTMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
18
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
80.52
TPSA
79.13

LogP / Solubility

WLOGP
0.89
MLOGP
0.79
XLogP3
0.89
Consensus LogP
0.86
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.47
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.56
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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