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CAS 885720-87-6 Pyrazolo[1,5-a]pyriMidine, 3-broMo-7-chloro-6-ethyl-5-Methyl- molecular structure lightbox
CAS RN: 885720-87-6

Pyrazolo[1,5-a]pyriMidine, 3-broMo-7-chloro-6-ethyl-5-Methyl-

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250310 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS885720-87-6
  • Purity/Analytical Methods: >99.0%
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885720-87-6 / 3-bromo-7-chloro-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidine

Standard CAS: 885720-87-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885720-87-6
Multi CAS
No
Molecular Formula
C9H9BRCLN3
Molecular Weight
274.540000
Exact Mass
272.966840
InChI
InChI=1S/C9H9BrClN3/c1-3-6-5(2)13-9-7(10)4-12-14(9)8(6)11/h4H,3H2,1-2H3
InChIKey
NDSGMGQUNZXDTA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
59.81
TPSA
30.19

LogP / Solubility

WLOGP
3.02
MLOGP
2.66
XLogP3
3.2
Consensus LogP
2.96
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.99
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.07
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)
-2.25

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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