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CAS 1092351-65-9 5-BroMoiMidazo[1,2-a]pyridin-2-carboxylic acid Methyl ester molecular structure lightbox
CAS RN: 1092351-65-9

5-BroMoiMidazo[1,2-a]pyridin-2-carboxylic acid Methyl ester

  • Product code: SSC-010398
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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: ＞97%
  • 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 1092351-65-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

1092351-65-9 / methyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate

5-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid methyl ester | methyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate | MFCD11109379

Standard CAS: 1092351-65-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1092351-65-9
Multi CAS
No
Molecular Formula
C9H7BrN2O2
Molecular Weight
255.070000
Exact Mass
253.969090
SMILES
COC(=O)C1=CN2C(=N1)C=CC=C2Br
InChI
InChI=1S/C9H7BrN2O2/c1-14-9(13)6-5-12-7(10)3-2-4-8(12)11-6/h2-5H,1H3
InChIKey
CKKPLEFSWHGVNO-UHFFFAOYSA-N
Synonyms
5-Bromoimidazo[1,2-a]pyridine-2-carboxylic acid methyl ester methyl 5-bromoimidazo[1,2-a]pyridine-2-carboxylate MFCD11109379 5-BroMoiMidazo[1,2-a]pyridin-2-carboxylic acid Methyl ester SCHEMBL29469301

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
3
Consensus LogP
2.18
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
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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