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CAS 70523-24-9 2,4-BIS(BENZYLOXY)PYRIMIDINE-5-BORONIC ACID molecular structure lightbox
CAS RN: 70523-24-9

2,4-BIS(BENZYLOXY)PYRIMIDINE-5-BORONIC ACID

  • Product code: SSC-180293
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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: ≥98%
  • 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 70523-24-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥98% 0 Out of Stock Shanghai Inquiry

70523-24-9 / [2,4-bis(phenylmethoxy)pyrimidin-5-yl]boronic acid

Standard CAS: 70523-24-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
70523-24-9
Multi CAS
No
Molecular Formula
BC18H17N2O4
Molecular Weight
336.200000
Exact Mass
336.128137
InChI
InChI=1S/C18H17BN2O4/c22-19(23)16-11-20-18(25-13-15-9-5-2-6-10-15)21-17(16)24-12-14-7-3-1-4-8-14/h1-11,22-23H,12-13H2
InChIKey
HVVGEQHZGHNHJD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
7
H-bond acceptors
6
H-bond donors
2
Molar refractivity
93.41
TPSA
84.7

LogP / Solubility

WLOGP
1.31
MLOGP
1.17
XLogP3
1.31
Consensus LogP
1.26
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.27
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84

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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