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CAS 223432-96-0 Pyrrolo[1,2-c]pyrimidin-1(2H)-one (9CI) molecular structure lightbox
CAS RN: 223432-96-0

Pyrrolo[1,2-c]pyrimidin-1(2H)-one (9CI)

  • Product code: SSC-108947
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 5g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 223432-96-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 5 In Stock Beijing Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Beijing Inquiry

223432-96-0 / 2H-pyrrolo[1,2-c]pyrimidin-1-one

Standard CAS: 223432-96-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
223432-96-0
Multi CAS
No
Molecular Formula
C7H6N2O
Molecular Weight
134.140000
Exact Mass
134.048013
SMILES
C1=CN2C(=C1)C=CNC2=O
InChI
InChI=1S/C7H6N2O/c10-7-8-4-3-6-2-1-5-9(6)7/h1-5H,(H,8,10)
InChIKey
BQTWGGGLMLASSY-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
38.02
TPSA
37.27

LogP / Solubility

WLOGP
0.63
MLOGP
0.54
XLogP3
0.5
Consensus LogP
0.56
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.05
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)
-3.09

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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