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CAS 1370287-43-6 3-Bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 1370287-43-6

3-Bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1370287-43-6
  • Purity/Analytical Methods: >99.0%
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1370287-43-6 / ethyl 3-bromo-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Standard CAS: 1370287-43-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1370287-43-6
Multi CAS
No
Molecular Formula
C10H10BrN3O2
Molecular Weight
284.110000
Exact Mass
282.995640
SMILES
CCOC(=O)C1=C(N2C(=C(C=N2)Br)N=C1)C
InChI
InChI=1S/C10H10BrN3O2/c1-3-16-10(15)7-4-12-9-8(11)5-13-14(9)6(7)2/h4-5H,3H2,1-2H3
InChIKey
VIOCCXOFHZYPTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
61.38
TPSA
56.49

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.32
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-3.05

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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