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CAS 221135-63-3 5-BroMo-3,6-diMethyl-2-pyridinaMine molecular structure lightbox
CAS RN: 221135-63-3

5-BroMo-3,6-diMethyl-2-pyridinaMine

  • Product code: SSC-106388
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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 221135-63-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

221135-63-3 / 5-bromo-3,6-dimethylpyridin-2-amine

Standard CAS: 221135-63-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
221135-63-3
Multi CAS
No
Molecular Formula
C7H9BrN2
Molecular Weight
201.060000
Exact Mass
199.994910
SMILES
CC1=CC(=C(N=C1N)C)Br
InChI
InChI=1S/C7H9BrN2/c1-4-3-6(8)5(2)10-7(4)9/h3H,1-2H3,(H2,9,10)
InChIKey
FSZYOBZOVULXIL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
H-bond acceptors
2
H-bond donors
1
Molar refractivity
45.82
TPSA
38.91

LogP / Solubility

WLOGP
2.04
MLOGP
1.8
XLogP3
2
Consensus LogP
1.95
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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)
-2.5

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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