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CAS 1261269-82-2 2-PyridinaMine, 3,5-dibroMo-4-Methoxy- molecular structure lightbox
CAS RN: 1261269-82-2

2-PyridinaMine, 3,5-dibroMo-4-Methoxy-

  • Product code: SSC-032444
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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: ＞95%
  • 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 1261269-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

1261269-82-2 / 3,5-dibromo-4-methoxypyridin-2-amine

Standard CAS: 1261269-82-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1261269-82-2
Multi CAS
No
Molecular Formula
C6H6Br2N2O
Molecular Weight
281.930000
Exact Mass
281.882640
SMILES
COC1=C(C(=NC=C1Br)N)Br
InChI
InChI=1S/C6H6Br2N2O/c1-11-5-3(7)2-10-6(9)4(5)8/h2H,1H3,(H2,9,10)
InChIKey
AMOUNGBYEJIVPD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.6
TPSA
48.14

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
1.9
Consensus LogP
2.01
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.46
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.44
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88

Drug-likeness / Medicinal Chemistry

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

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