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CAS 1256813-45-2 3-bromo-1H-pyrrolo[3,2-c]pyridin-4-amine molecular structure lightbox
CAS RN: 1256813-45-2

3-bromo-1H-pyrrolo[3,2-c]pyridin-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250725 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS1256813-45-2
  • Purity/Analytical Methods: >99.0%
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1256813-45-2 / 3-bromo-1H-pyrrolo[3,2-c]pyridin-4-amine

Standard CAS: 1256813-45-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1256813-45-2
Multi CAS
No
Molecular Formula
C7H6BrN3
Molecular Weight
212.050000
Exact Mass
210.974510
SMILES
C1=CN=C(C2=C1NC=C2Br)N
InChI
InChI=1S/C7H6BrN3/c8-4-3-11-5-1-2-10-7(9)6(4)5/h1-3,11H,(H2,9,10)
InChIKey
CQMSHLQPFKLVMN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
2
Molar refractivity
48.21
TPSA
54.7

LogP / Solubility

WLOGP
1.91
MLOGP
1.68
XLogP3
1.3
Consensus LogP
1.63
Log S (ESOL)
-2.96
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.68
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.62
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)
-2.66

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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