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CAS 756520-57-7 2-AMino-3-benzyloxypyridine-5-boronic acid pinacol ester molecular structure lightbox
CAS RN: 756520-57-7

2-AMino-3-benzyloxypyridine-5-boronic acid pinacol ester

  • Product code: SSC-185088
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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: ＞97%
  • 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 756520-57-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

756520-57-7 / 3-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Standard CAS: 756520-57-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
756520-57-7
Multi CAS
Yes
Molecular Formula
BC18H23N2O3
Molecular Weight
326.200000
Exact Mass
326.180173
InChI
InChI=1S/C18H23BN2O3/c1-17(2)18(3,4)24-19(23-17)14-10-15(16(20)21-11-14)22-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H2,20,21)
InChIKey
RPQADWBEACHUFT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.39
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
95.14
TPSA
66.6

LogP / Solubility

WLOGP
2.54
MLOGP
2.25
XLogP3
2.54
Consensus LogP
2.44
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.07
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.37
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

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

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