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CAS 162286-69-3 ETHYL 7-METHYL-2-(2-THIENYL)PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE molecular structure lightbox
CAS RN: 162286-69-3

ETHYL 7-METHYL-2-(2-THIENYL)PYRAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLATE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 1g / 5g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS162286-69-3
  • Purity/Analytical Methods: >99.0%
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162286-69-3 / ethyl 7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate

Standard CAS: 162286-69-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
162286-69-3
Multi CAS
No
Molecular Formula
C14H13N3O2S
Molecular Weight
287.340000
Exact Mass
287.072848
SMILES
CCOC(=O)C1=C(N2C(=CC(=N2)C3=CC=CS3)N=C1)C
InChI
InChI=1S/C14H13N3O2S/c1-3-19-14(18)10-8-15-13-7-11(12-5-4-6-20-12)16-17(13)9(10)2/h4-8H,3H2,1-2H3
InChIKey
CBRIFKWJWUKPOW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
14
Fraction Csp3
0.21
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
76.99
TPSA
56.49

LogP / Solubility

WLOGP
2.94
MLOGP
2.6
XLogP3
2.3
Consensus LogP
2.61
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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