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CAS 251102-36-0 Pyrrolo[1,2-c]pyrimidine-1-carboxaldehyde (9CI) molecular structure lightbox
CAS RN: 251102-36-0

Pyrrolo[1,2-c]pyrimidine-1-carboxaldehyde (9CI)

  • Product code: SSC-120672
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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, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 2
  • 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 251102-36-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 1 In Stock Beijing Inquiry
0.25g ≥95% 1 In Stock Hong Kong Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

251102-36-0 / pyrrolo[1,2-c]pyrimidine-1-carbaldehyde

Standard CAS: 251102-36-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
251102-36-0
Multi CAS
No
Molecular Formula
C8H6N2O
Molecular Weight
146.150000
Exact Mass
146.048013
SMILES
C1=CN2C(=C1)C=CN=C2C=O
InChI
InChI=1S/C8H6N2O/c11-6-8-9-4-3-7-2-1-5-10(7)8/h1-6H
InChIKey
WHMDFSWOSQOZBC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
9
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.58
TPSA
34.37

LogP / Solubility

WLOGP
1.15
MLOGP
1
XLogP3
1.6
Consensus LogP
1.25
Log S (ESOL)
-2.01
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.59
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-2.8

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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