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CAS 1005785-59-0 6-CHLORO-3-METHYLIMIDAZO[1,2-B]PYRIDAZIN-2-AMINE molecular structure lightbox
CAS RN: 1005785-59-0

6-CHLORO-3-METHYLIMIDAZO[1,2-B]PYRIDAZIN-2-AMINE

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4 package records0 with current stock1 grade group
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Batchno.20260228 100mg Out of stock 8-10 business days Inquiry
Batchno.20250117 100mg Out of stock Inquiry
Batchno.20250413 1g Out of stock Inquiry
Batchno.20260404 250mg Out of stock Inquiry
  • Product code: starshine_CAS1005785-59-0
  • Purity/Analytical Methods: >99.0%
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1005785-59-0 / 6-chloro-3-methylimidazo[1,2-b]pyridazin-2-amine

6-chloro-3-methylimidazo[1,2-b]pyridazin-2-amine | MFCD22552177 | SCHEMBL3486356

Standard CAS: 1005785-59-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1005785-59-0
Multi CAS
No
Molecular Formula
C7H7ClN4
Molecular Weight
182.610000
Exact Mass
182.035924
SMILES
CC1=C(N=C2N1N=C(C=C2)Cl)N
InChI
InChI=1S/C7H7ClN4/c1-4-7(9)10-6-3-2-5(8)11-12(4)6/h2-3H,9H2,1H3
InChIKey
BXJSRZOMPUKDET-UHFFFAOYSA-N
Synonyms
6-chloro-3-methylimidazo[1,2-b]pyridazin-2-amine MFCD22552177 SCHEMBL3486356 SB15629 BS-50475

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
4
H-bond donors
1
Molar refractivity
47.15
TPSA
56.21

LogP / Solubility

WLOGP
1.27
MLOGP
1.12
XLogP3
1.3
Consensus LogP
1.23
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.98
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.93

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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