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CAS 1033202-06-0 IMidazo[1,2-a]pyridine-7-carboxylic acid, 3-forMyl- molecular structure lightbox
CAS RN: 1033202-06-0

IMidazo[1,2-a]pyridine-7-carboxylic acid, 3-forMyl-

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Batchno.20260411 100mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1033202-06-0
  • Purity/Analytical Methods: >99.0%
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1033202-06-0 / 3-formylimidazo[1,2-a]pyridine-7-carboxylic acid

3-formylimidazo[1,2-a]pyridine-7-carboxylic acid | MFCD10699668 | Imidazo[1,2-a]pyridine-7-carboxylic acid, 3-formyl-

Standard CAS: 1033202-06-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1033202-06-0
Multi CAS
No
Molecular Formula
C9H6N2O3
Molecular Weight
190.160000
Exact Mass
190.037842
SMILES
C1=CN2C(=NC=C2C=O)C=C1C(=O)O
InChI
InChI=1S/C9H6N2O3/c12-5-7-4-10-8-3-6(9(13)14)1-2-11(7)8/h1-5H,(H,13,14)
InChIKey
DJHJGBQQSIXSRV-UHFFFAOYSA-N
Synonyms
3-formylimidazo[1,2-a]pyridine-7-carboxylic acid MFCD10699668 Imidazo[1,2-a]pyridine-7-carboxylic acid, 3-formyl- AKOS006302975 AS-67653

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.54
TPSA
71.67

LogP / Solubility

WLOGP
0.84
MLOGP
0.74
XLogP3
1.1
Consensus LogP
0.9
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
Class (SILICOS-IT)
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)
-3.28

Drug-likeness / Medicinal Chemistry

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

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