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CAS 122535-03-9 ethyl furo[3,2-b]pyridine-6-carboxylate molecular structure lightbox
CAS RN: 122535-03-9

ethyl furo[3,2-b]pyridine-6-carboxylate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250511 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS122535-03-9
  • Purity/Analytical Methods: >99.0%
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122535-03-9 / ethyl furo[3,2-b]pyridine-6-carboxylate

Standard CAS: 122535-03-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122535-03-9
Multi CAS
No
Molecular Formula
C10H9NO3
Molecular Weight
191.180000
Exact Mass
191.058243
SMILES
CCOC(=O)C1=CC2=C(C=CO2)N=C1
InChI
InChI=1S/C10H9NO3/c1-2-13-10(12)7-5-9-8(11-6-7)3-4-14-9/h3-6H,2H2,1H3
InChIKey
SHKCCWMNQHRENO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
49.97
TPSA
52.33

LogP / Solubility

WLOGP
2
MLOGP
1.76
XLogP3
1.6
Consensus LogP
1.79
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.57
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.81
Class (SILICOS-IT)
Moderately 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)
-2.46

Drug-likeness / Medicinal Chemistry

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

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