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CAS 58326-34-4 1,6-DIHYDROPYRROLO[2,3-B]PYRROLE molecular structure lightbox
CAS RN: 58326-34-4

1,6-DIHYDROPYRROLO[2,3-B]PYRROLE

  • Product code: SSC-166564
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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 58326-34-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

58326-34-4 / 1,6-dihydropyrrolo[2,3-b]pyrrole

Standard CAS: 58326-34-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
58326-34-4
Multi CAS
No
Molecular Formula
C6H6N2
Molecular Weight
106.130000
Exact Mass
106.053098
InChI
InChI=1S/C6H6N2/c1-3-7-6-5(1)2-4-8-6/h1-4,7-8H
InChIKey
CGRCTJNCJNTKKL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
8
H-bond donors
2
Molar refractivity
32.65
TPSA
31.58

LogP / Solubility

WLOGP
1.5
MLOGP
1.31
XLogP3
1.2
Consensus LogP
1.34
Log S (ESOL)
-2.18
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.59
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)
-2.31

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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