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CAS 1159830-48-4 1H-Pyrrolo[3,2-c]pyridine-4-MethanaMine molecular structure lightbox
CAS RN: 1159830-48-4

1H-Pyrrolo[3,2-c]pyridine-4-MethanaMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250819 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1159830-48-4
  • Purity/Analytical Methods: >99.0%
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1159830-48-4 / 1H-pyrrolo[3,2-c]pyridin-4-ylmethanamine

{1H-pyrrolo[3,2-c]pyridin-4-yl}methanamine | 1h-pyrrolo[3,2-c]pyridine-4-methanamine | (1H-Pyrrolo[3,2-c]pyridin-4-yl)methanamine

Standard CAS: 1159830-48-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1159830-48-4
Multi CAS
No
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
SMILES
C1=CNC2=C1C(=NC=C2)CN
InChI
InChI=1S/C8H9N3/c9-5-8-6-1-3-10-7(6)2-4-11-8/h1-4,10H,5,9H2
InChIKey
UEBAOVJOSUDMQO-UHFFFAOYSA-N
Synonyms
{1H-pyrrolo[3,2-c]pyridin-4-yl}methanamine 1h-pyrrolo[3,2-c]pyridine-4-methanamine (1H-Pyrrolo[3,2-c]pyridin-4-yl)methanamine MFCD12401100 1H-pyrrolo[3,2-c]pyridin-4-ylmethanamine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
43.99
TPSA
54.7

LogP / Solubility

WLOGP
1.02
MLOGP
0.89
XLogP3
-0.1
Consensus LogP
0.6
Log S (ESOL)
-1.94
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

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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