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CAS 1034621-79-8 3-broMo-N-propyliMidazo[1,2-b]pyridazin-6-aMine molecular structure lightbox
CAS RN: 1034621-79-8

3-broMo-N-propyliMidazo[1,2-b]pyridazin-6-aMine

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260501 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS1034621-79-8
  • Purity/Analytical Methods: >99.0%
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1034621-79-8 / 3-bromo-N-propylimidazo[1,2-b]pyridazin-6-amine

3-bromo-N-propylimidazo[1,2-b]pyridazin-6-amine | MFCD23726658 | SMR001286157

Standard CAS: 1034621-79-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1034621-79-8
Multi CAS
Yes
Molecular Formula
C9H11BrN4
Molecular Weight
255.110000
Exact Mass
254.016710
SMILES
CCCNC1=NN2C(=NC=C2Br)C=C1
InChI
InChI=1S/C9H11BrN4/c1-2-5-11-8-3-4-9-12-6-7(10)14(9)13-8/h3-4,6H,2,5H2,1H3,(H,11,13)
InChIKey
XRJVIXDRSFFXEX-UHFFFAOYSA-N
Synonyms
3-bromo-N-propylimidazo[1,2-b]pyridazin-6-amine MFCD23726658 SMR001286157 3 -Bromo-N-propylimidazo[1,2-b]pyridazin-6-amine MLS004803553

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
59.47
TPSA
42.22

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.6
Consensus LogP
2.32
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.63

Drug-likeness / Medicinal Chemistry

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

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