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CAS 27311-25-7 2-(1H-Pyrrolo[3,2-b]pyridin-3-yl)ethanaMine dihydrochloride molecular structure lightbox
CAS RN: 27311-25-7

2-(1H-Pyrrolo[3,2-b]pyridin-3-yl)ethanaMine dihydrochloride

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250809 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS27311-25-7
  • Purity/Analytical Methods: >99.0%
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27311-25-7 / 2-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanamine;dihydrochloride

Standard CAS: 27311-25-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
27311-25-7
Multi CAS
No
Molecular Formula
C9H13CL2N3
Molecular Weight
234.120000
Exact Mass
233.048653
InChI
InChI=1S/C9H11N3.2ClH/c10-4-3-7-6-12-8-2-1-5-11-9(7)8;;/h1-2,5-6,12H,3-4,10H2;2*1H
InChIKey
RAQGXXRFNJEAAN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
63.35
TPSA
54.7

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.91
Consensus LogP
1.83
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-2.79

Drug-likeness / Medicinal Chemistry

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

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