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CAS 175201-63-5 1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE molecular structure lightbox
CAS RN: 175201-63-5

1-[2-(4-CHLOROPHENYL)-7-METHYLPYRAZOLO[1,5-A]PYRIMIDIN-6-YL]ETHAN-1-ONE

  • Product code: SSC-076829
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 175201-63-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Beijing Inquiry

175201-63-5 / 1-[2-(4-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone

Standard CAS: 175201-63-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
175201-63-5
Multi CAS
No
Molecular Formula
C15H12ClN3O
Molecular Weight
285.730000
Exact Mass
285.066890
SMILES
CC1=C(C=NC2=CC(=NN12)C3=CC=C(C=C3)Cl)C(=O)C
InChI
InChI=1S/C15H12ClN3O/c1-9-13(10(2)20)8-17-15-7-14(18-19(9)15)11-3-5-12(16)6-4-11/h3-8H,1-2H3
InChIKey
VCZCNKURKQUDGC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
78.17
TPSA
47.26

LogP / Solubility

WLOGP
3.56
MLOGP
3.14
XLogP3
2.7
Consensus LogP
3.13
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.71
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)
-1.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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