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CAS 79707-07-6 8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 79707-07-6

8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE-2-CARBOXYLIC ACID ETHYL ESTER

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260326 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS79707-07-6
  • Purity/Analytical Methods: >99.0%
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79707-07-6 / ethyl 8-phenylmethoxyimidazo[1,2-a]pyridine-2-carboxylate

Standard CAS: 79707-07-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
79707-07-6
Multi CAS
No
Molecular Formula
C17H16N2O3
Molecular Weight
296.320000
Exact Mass
296.116092
InChI
InChI=1S/C17H16N2O3/c1-2-21-17(20)14-11-19-10-6-9-15(16(19)18-14)22-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3
InChIKey
OKGWFFLFFLQRCL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
81.92
TPSA
52.83

LogP / Solubility

WLOGP
3.09
MLOGP
2.73
XLogP3
3.8
Consensus LogP
3.21
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
Class (SILICOS-IT)
Slightly 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)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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