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CAS 52606-07-2 5-BroMo-2,4-diMethoxypyridine molecular structure lightbox
CAS RN: 52606-07-2

5-BroMo-2,4-diMethoxypyridine

  • Product code: SSC-159734
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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 52606-07-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

52606-07-2 / 5-bromo-2,4-dimethoxypyridine

Standard CAS: 52606-07-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
52606-07-2
Multi CAS
No
Molecular Formula
BC7H8O2Rn
Molecular Weight
218.050000
Exact Mass
216.973840
InChI
InChI=1S/C7H8BrNO2/c1-10-6-3-7(11-2)9-4-5(6)8/h3-4H,1-2H3
InChIKey
IRLDCGSNDXFFQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
45.04
TPSA
31.35

LogP / Solubility

WLOGP
1.86
MLOGP
1.64
XLogP3
1.8
Consensus LogP
1.77
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.69
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.73

Drug-likeness / Medicinal Chemistry

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

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