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CAS 215531-00-3 6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-ACETIC ACID, METHYL ESTER molecular structure lightbox
CAS RN: 215531-00-3

6-CHLORO-IMIDAZO[1,2-B]PYRIDAZINE-2-ACETIC ACID, METHYL ESTER

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250113 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS215531-00-3
  • Purity/Analytical Methods: >99.0%
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215531-00-3 / methyl 2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)acetate

Standard CAS: 215531-00-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
215531-00-3
Multi CAS
No
Molecular Formula
C9H8ClN3O2
Molecular Weight
225.630000
Exact Mass
225.030504
SMILES
COC(=O)CC1=CN2C(=N1)C=CC(=N2)Cl
InChI
InChI=1S/C9H8ClN3O2/c1-15-9(14)4-6-5-13-8(11-6)3-2-7(10)12-13/h2-3,5H,4H2,1H3
InChIKey
PVVMNFGXLWLETL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
53.72
TPSA
56.49

LogP / Solubility

WLOGP
1.1
MLOGP
0.97
XLogP3
1.1
Consensus LogP
1.06
Log S (ESOL)
-2.24
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.2
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately 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)
-3.32

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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