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CAS 138904-35-5 7-AMINO-4,5-DIHYDRO-5-OXO-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE molecular structure lightbox
CAS RN: 138904-35-5

7-AMINO-4,5-DIHYDRO-5-OXO-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260615 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-049044
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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 138904-35-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Hong Kong Inquiry

138904-35-5 / 7-amino-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

Standard CAS: 138904-35-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
138904-35-5
Multi CAS
No
Molecular Formula
C7H5N5O
Molecular Weight
175.150000
Exact Mass
175.049410
SMILES
C1=C(N2C(=C(C=N2)C#N)NC1=O)N
InChI
InChI=1S/C7H5N5O/c8-2-4-3-10-12-5(9)1-6(13)11-7(4)12/h1,3H,9H2,(H,11,13)
InChIKey
BNFWUAFRRYBCJX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
44.94
TPSA
99.97

LogP / Solubility

WLOGP
-0.52
MLOGP
-0.46
XLogP3
-1
Consensus LogP
-0.66
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-0.62
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.36
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.16

Drug-likeness / Medicinal Chemistry

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

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