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CAS 1123194-98-8 6-Bromo-2-methoxy-3-(4-methyl-1H-imidazol-1-yl)pyridine molecular structure lightbox
CAS RN: 1123194-98-8

6-Bromo-2-methoxy-3-(4-methyl-1H-imidazol-1-yl)pyridine

  • Product code: SSC-012783
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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: 5g
  • 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 1123194-98-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1123194-98-8 / 6-bromo-2-methoxy-3-(4-methylimidazol-1-yl)pyridine

6-bromo-2-methoxy-3-(4-methyl-1H-imidazol-1-yl)pyridine | MFCD19690830 | 6-bromo-2-methoxy-3-(4-methylimidazol-1-yl)pyridine

Standard CAS: 1123194-98-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1123194-98-8
Multi CAS
No
Molecular Formula
C10H10BrN3O
Molecular Weight
268.110000
Exact Mass
267.000720
SMILES
CC1=CN(C=N1)C2=C(N=C(C=C2)Br)OC
InChI
InChI=1S/C10H10BrN3O/c1-7-5-14(6-12-7)8-3-4-9(11)13-10(8)15-2/h3-6H,1-2H3
InChIKey
UDJPEUQUZMPTFQ-UHFFFAOYSA-N
Synonyms
6-bromo-2-methoxy-3-(4-methyl-1H-imidazol-1-yl)pyridine MFCD19690830 6-bromo-2-methoxy-3-(4-methylimidazol-1-yl)pyridine 6-bromo-2-methoxy-3-(4-methyl-1H-imidazole-1-yl)pyridine Pyridine, 6-bromo-2-methoxy-3-(4-methyl-1H-imidazol-1-yl)-

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
60.35
TPSA
39.94

LogP / Solubility

WLOGP
2.35
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-3.39
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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