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CAS 942262-52-4 1-propyl-1H-pyrrolo[2,3-b]pyridine molecular structure lightbox
CAS RN: 942262-52-4

1-propyl-1H-pyrrolo[2,3-b]pyridine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260312 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS942262-52-4
  • Purity/Analytical Methods: >99.0%
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942262-52-4 / 1-propylpyrrolo[2,3-b]pyridine

Standard CAS: 942262-52-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
942262-52-4
Multi CAS
No
Molecular Formula
C10H12N2
Molecular Weight
160.220000
Exact Mass
160.100048
InChI
InChI=1S/C10H12N2/c1-2-7-12-8-5-9-4-3-6-11-10(9)12/h3-6,8H,2,7H2,1H3
InChIKey
ITNLYTSVRUVJCT-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
50.02
TPSA
17.82

LogP / Solubility

WLOGP
2.45
MLOGP
2.15
XLogP3
2.1
Consensus LogP
2.23
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.64
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
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)
-1.96

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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