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CAS 222292-69-5 1,2-dihydro-2-oxo-Imidazo[1,5-a]pyrimidine-8-carboxylic acid ethyl ester molecular structure lightbox
CAS RN: 222292-69-5

1,2-dihydro-2-oxo-Imidazo[1,5-a]pyrimidine-8-carboxylic acid ethyl ester

  • Product code: SSC-106919
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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 222292-69-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

222292-69-5 / ethyl 2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate

Standard CAS: 222292-69-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222292-69-5
Multi CAS
No
Molecular Formula
C9H9N3O3
Molecular Weight
207.190000
Exact Mass
207.064391
SMILES
CCOC(=O)C1=C2NC(=O)C=CN2C=N1
InChI
InChI=1S/C9H9N3O3/c1-2-15-9(14)7-8-11-6(13)3-4-12(8)5-10-7/h3-5H,2H2,1H3,(H,11,13)
InChIKey
NJLWNXKFVAOSAA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
51.77
TPSA
76.46

LogP / Solubility

WLOGP
0.2
MLOGP
0.18
XLogP3
0.1
Consensus LogP
0.16
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.41
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.84

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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