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CAS 2090040-33-6 methyl 7-bromo-1H-imidazo[1,2-b]pyrazole-3-carboxylate molecular structure lightbox
CAS RN: 2090040-33-6

methyl 7-bromo-1H-imidazo[1,2-b]pyrazole-3-carboxylate

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
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2090040-33-6 / methyl 7-bromo-5H-imidazo[1,2-b]pyrazole-3-carboxylate

methyl 7-bromo-1H-imidazo[1,2-b]pyrazole-3-carboxylate | methyl 7-bromo-5H-imidazo[1,2-b]pyrazole-3-carboxylate | CS-0343276

Standard CAS: 2090040-33-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2090040-33-6
Multi CAS
No
Molecular Formula
BC7H6O2Rn3
Molecular Weight
244.050000
Exact Mass
242.964340
SMILES
COC(=O)C1=CN=C2N1NC=C2Br
InChI
InChI=1S/C7H6BrN3O2/c1-13-7(12)5-3-9-6-4(8)2-10-11(5)6/h2-3,10H,1H3
InChIKey
GENXALILWMYHNJ-UHFFFAOYSA-N
Synonyms
methyl 7-bromo-1H-imidazo[1,2-b]pyrazole-3-carboxylate methyl 7-bromo-5H-imidazo[1,2-b]pyrazole-3-carboxylate CS-0343276 G74019 F737991

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
8
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.58
TPSA
59.39

LogP / Solubility

WLOGP
1.21
MLOGP
1.07
XLogP3
1.6
Consensus LogP
1.29
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-3.35

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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