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CAS 886503-17-9 7-PHENYL-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 886503-17-9

7-PHENYL-PYRAZOLO[1,5-A]PYRIMIDINE-2-CARBOXYLIC ACID

  • Product code: SSC-200073
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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: 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 886503-17-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shanghai Inquiry

886503-17-9 / 7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Standard CAS: 886503-17-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
886503-17-9
Multi CAS
No
Molecular Formula
C13H9N3O2
Molecular Weight
239.230000
Exact Mass
239.069477
InChI
InChI=1S/C13H9N3O2/c17-13(18)10-8-12-14-7-6-11(16(12)15-10)9-4-2-1-3-5-9/h1-8H,(H,17,18)
InChIKey
PCRKTPKIWRHNRX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
15
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.38
TPSA
67.49

LogP / Solubility

WLOGP
2.09
MLOGP
1.85
XLogP3
1.8
Consensus LogP
1.91
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly 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)
-2.69

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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