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CAS 1467061-96-6 5-Bromo-6-methoxy-N,N-dimethylpyridin-2-amine molecular structure lightbox
CAS RN: 1467061-96-6

5-Bromo-6-methoxy-N,N-dimethylpyridin-2-amine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250417 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1467061-96-6
  • Purity/Analytical Methods: >99.0%
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1467061-96-6 / 5-bromo-6-methoxy-N,N-dimethylpyridin-2-amine

Standard CAS: 1467061-96-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1467061-96-6
Multi CAS
No
Molecular Formula
C8H11BrN2O
Molecular Weight
231.090000
Exact Mass
230.005480
SMILES
CN(C)C1=NC(=C(C=C1)Br)OC
InChI
InChI=1S/C8H11BrN2O/c1-11(2)7-5-4-6(9)8(10-7)12-3/h4-5H,1-3H3
InChIKey
XOBLFCUMHLJPNQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.82
TPSA
25.36

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
2.3
Consensus LogP
1.97
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.99
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)
-2.77

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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