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CAS 1030-33-7 2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-7-CARBOXYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 1030-33-7

2-PHENYL-IMIDAZO[1,2-A]PYRIDINE-7-CARBOXYLIC ACID METHYL ESTER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251202 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1030-33-7
  • Purity/Analytical Methods: >99.0%
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1030-33-7 / methyl 2-phenylimidazo[1,2-a]pyridine-7-carboxylate

methyl 2-phenylimidazo[1,2-a]pyridine-7-carboxylate | 2-Phenyl-imidazo[1,2-a]pyridine-7-carboxylic acid methyl ester | MFCD00022628

Standard CAS: 1030-33-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1030-33-7
Multi CAS
No
Molecular Formula
C15H12N2O2
Molecular Weight
252.270000
Exact Mass
252.089878
SMILES
COC(=O)C1=CC2=NC(=CN2C=C1)C3=CC=CC=C3
InChI
InChI=1S/C15H12N2O2/c1-19-15(18)12-7-8-17-10-13(16-14(17)9-12)11-5-3-2-4-6-11/h2-10H,1H3
InChIKey
NNEHLDZPSCCFBR-UHFFFAOYSA-N
Synonyms
methyl 2-phenylimidazo[1,2-a]pyridine-7-carboxylate 2-Phenyl-imidazo[1,2-a]pyridine-7-carboxylic acid methyl ester MFCD00022628 NNEHLDZPSCCFBR-UHFFFAOYSA-N NSC527110

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
71.97
TPSA
43.6

LogP / Solubility

WLOGP
2.79
MLOGP
2.46
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.64
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.85
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)
-2.28

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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