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CAS 1493855-75-6 1H-Pyrrolo[2,3-c]pyridine, 7-methoxy-3-propyl- molecular structure lightbox
CAS RN: 1493855-75-6

1H-Pyrrolo[2,3-c]pyridine, 7-methoxy-3-propyl-

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4 package records0 with current stock1 grade group
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Batchno.20250514 100mg Out of stock Inquiry
Batchno.20250530 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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  • Product code: starshine_CAS1493855-75-6
  • Purity/Analytical Methods: >99.0%
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1493855-75-6 / 7-methoxy-3-propyl-1H-pyrrolo[2,3-c]pyridine

Standard CAS: 1493855-75-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1493855-75-6
Multi CAS
No
Molecular Formula
C11H14N2O
Molecular Weight
190.240000
Exact Mass
190.110613
SMILES
CCCC1=CNC2=C1C=CN=C2OC
InChI
InChI=1S/C11H14N2O/c1-3-4-8-7-13-10-9(8)5-6-12-11(10)14-2/h5-7,13H,3-4H2,1-2H3
InChIKey
KQCRJWLPCLHEMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.36
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.64
TPSA
37.91

LogP / Solubility

WLOGP
2.52
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.45
Log S (ESOL)
-2.89
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.94
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.35
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)
-2.09

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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