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CAS 1123837-99-9 N-((6-bromopyridin-3-yl)methyl)-2-methoxyethanamine molecular structure lightbox
CAS RN: 1123837-99-9

N-((6-bromopyridin-3-yl)methyl)-2-methoxyethanamine

  • Product code: SSC-012824
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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 1123837-99-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1123837-99-9 / N-[(6-bromo-3-pyridinyl)methyl]-2-methoxyethanamine

N-((6-BROMOPYRIDIN-3-YL)METHYL)-2-METHOXYETHAN-1-AMINE | N-[(6-Bromopyridin-3-yl)methyl]-2-methoxyethan-1-amine | N-[(6-Bromo-3-pyridyl)methyl]-2-methoxyethanamine

Standard CAS: 1123837-99-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1123837-99-9
Multi CAS
No
Molecular Formula
C9H13BrN2O
Molecular Weight
245.120000
Exact Mass
244.021130
SMILES
COCCNCC1=CN=C(C=C1)Br
InChI
InChI=1S/C9H13BrN2O/c1-13-5-4-11-6-8-2-3-9(10)12-7-8/h2-3,7,11H,4-6H2,1H3
InChIKey
CVGDUJKDLGUWEI-UHFFFAOYSA-N
Synonyms
N-((6-BROMOPYRIDIN-3-YL)METHYL)-2-METHOXYETHAN-1-AMINE N-[(6-Bromopyridin-3-yl)methyl]-2-methoxyethan-1-amine N-[(6-Bromo-3-pyridyl)methyl]-2-methoxyethanamine SCHEMBL103374 SCHEMBL29487186

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.52
TPSA
34.15

LogP / Solubility

WLOGP
1.58
MLOGP
1.4
XLogP3
1.1
Consensus LogP
1.36
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.71
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
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)
-3.09

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

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