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CAS 79491-45-5 2,6-dibroMo-3-Methoxypyridine molecular structure lightbox
CAS RN: 79491-45-5

2,6-dibroMo-3-Methoxypyridine

  • Product code: SSC-188647
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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, 5g, 10g, 25g
  • 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 79491-45-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry
10g ＞97% 0 Out of Stock Shanghai Inquiry
25g ＞97% 0 Out of Stock Shanghai Inquiry

79491-45-5 / 2,6-dibromo-3-methoxypyridine

Standard CAS: 79491-45-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79491-45-5
Multi CAS
No
Molecular Formula
C6H5BR2NO
Molecular Weight
266.920000
Exact Mass
266.871740
InChI
InChI=1S/C6H5Br2NO/c1-10-4-2-3-5(7)9-6(4)8/h2-3H,1H3
InChIKey
JFWDQTIVECPBDE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.19
TPSA
22.12

LogP / Solubility

WLOGP
2.62
MLOGP
2.31
XLogP3
2.9
Consensus LogP
2.61
Log S (ESOL)
-3.52
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly 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)
-2.49

Drug-likeness / Medicinal Chemistry

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

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