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CAS 947249-16-3 5-Bromo-3-methoxy-6-methylpyridin-2-amine molecular structure lightbox
CAS RN: 947249-16-3

5-Bromo-3-methoxy-6-methylpyridin-2-amine

  • Product code: SSC-209891
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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 947249-16-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

947249-16-3 / 5-bromo-3-methoxy-6-methylpyridin-2-amine

Standard CAS: 947249-16-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
947249-16-3
Multi CAS
No
Molecular Formula
BC7H9ORn2
Molecular Weight
217.060000
Exact Mass
215.989830
InChI
InChI=1S/C7H9BrN2O/c1-4-5(8)3-6(11-2)7(9)10-4/h3H,1-2H3,(H2,9,10)
InChIKey
ZJHUNXISWBBUSR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
47.64
TPSA
48.14

LogP / Solubility

WLOGP
1.74
MLOGP
1.54
XLogP3
1.6
Consensus LogP
1.63
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.64
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)
-2.81

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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