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CAS 918340-50-8 1-CHLOROPYRROLO[1,2-C]PYRIMIDINE molecular structure lightbox
CAS RN: 918340-50-8

1-CHLOROPYRROLO[1,2-C]PYRIMIDINE

  • Product code: SSC-205287
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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: 0.25g
  • 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 918340-50-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry

918340-50-8 / 1-chloropyrrolo[1,2-c]pyrimidine

Standard CAS: 918340-50-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
918340-50-8
Multi CAS
No
Molecular Formula
C7H5CLN2
Molecular Weight
152.580000
Exact Mass
152.014126
InChI
InChI=1S/C7H5ClN2/c8-7-9-4-3-6-2-1-5-10(6)7/h1-5H
InChIKey
NVWNKKFTSPXKMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
2
Molar refractivity
40.2
TPSA
17.3

LogP / Solubility

WLOGP
1.99
MLOGP
1.74
XLogP3
2.8
Consensus LogP
2.18
Log S (ESOL)
-2.7
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.24

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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