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CAS 312922-05-7 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid molecular structure lightbox
CAS RN: 312922-05-7

7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

  • Product code: SSC-136588
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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 312922-05-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

312922-05-7 / 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Standard CAS: 312922-05-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
312922-05-7
Multi CAS
No
Molecular Formula
C14H11N3O2
Molecular Weight
253.260000
Exact Mass
253.085127
InChI
InChI=1S/C14H11N3O2/c1-9-7-11(10-5-3-2-4-6-10)15-13-8-12(14(18)19)16-17(9)13/h2-8H,1H3,(H,18,19)
InChIKey
WSVXLVVUFWLVNB-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
70.12
TPSA
67.49

LogP / Solubility

WLOGP
2.4
MLOGP
2.12
XLogP3
2.2
Consensus LogP
2.24
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.54
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)
-2.56

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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