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CAS 1935107-75-7 methyl 2-bromoimidazo[1,2-a]pyridine-7-carboxylate molecular structure lightbox
CAS RN: 1935107-75-7

methyl 2-bromoimidazo[1,2-a]pyridine-7-carboxylate

  • Product code: SSC-091011
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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 1935107-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1935107-75-7 / methyl 2-bromoimidazo[1,2-a]pyridine-7-carboxylate

Standard CAS: 1935107-75-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1935107-75-7
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
COC(=O)C1=CC2=NC(=CN2C=C1)Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-2-3-12-5-7(10)11-8(12)4-6/h2-5H,1H3
InChIKey
XZDUUFQXKYVYHS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.11
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
54.23
TPSA
43.6

LogP / Solubility

WLOGP
1.88
MLOGP
1.66
XLogP3
2.6
Consensus LogP
2.05
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.01
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

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

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