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CAS 104829-98-3 3-Amino-2-bromo-4,6-dimethylpyridine molecular structure lightbox
CAS RN: 104829-98-3

3-Amino-2-bromo-4,6-dimethylpyridine

  • Product code: SSC-006551
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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 104829-98-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

104829-98-3 / 2-bromo-4,6-dimethylpyridin-3-amine

3-Amino-2-bromo-4,6-dimethylpyridine | DTXSID00365909 | RefChem:496993

Standard CAS: 104829-98-3 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104829-98-3
Multi CAS
No
Molecular Formula
C7H9BrN2
Molecular Weight
201.060000
Exact Mass
199.994910
SMILES
CC1=CC(=NC(=C1N)Br)C
InChI
InChI=1S/C7H9BrN2/c1-4-3-5(2)10-7(8)6(4)9/h3H,9H2,1-2H3
InChIKey
YHCPMPRWVKYCQS-UHFFFAOYSA-N
Synonyms
3-Amino-2-bromo-4,6-dimethylpyridine DTXSID00365909 RefChem:496993 DTXCID30316949 600-607-6

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
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Flammable
Signal
Danger
GHS Hazard Statements
H228 (100%): Flammable solid [Danger Flammable solids]
Precautionary Statement Codes
P210, P240, P241, P280, and P370+P378

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