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CAS 754230-78-9 2-Amino-5-bromo-3-benzloxypyridine molecular structure lightbox
CAS RN: 754230-78-9

2-Amino-5-bromo-3-benzloxypyridine

  • Product code: SSC-184893
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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: 5g
  • 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 754230-78-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shenzhen Inquiry

754230-78-9 / 5-bromo-3-phenylmethoxypyridin-2-amine

Standard CAS: 754230-78-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
754230-78-9
Multi CAS
No
Molecular Formula
BC12H11ORn2
Molecular Weight
279.130000
Exact Mass
278.005480
InChI
InChI=1S/C12H11BrN2O/c13-10-6-11(12(14)15-7-10)16-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15)
InChIKey
ZFNMAJBVWOHSSF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.12
TPSA
48.14

LogP / Solubility

WLOGP
3.01
MLOGP
2.65
XLogP3
2.7
Consensus LogP
2.79
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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