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CAS 5666-13-7 2-pyrrolidin-2-yl-1H-pyrrole molecular structure lightbox
CAS RN: 5666-13-7

2-pyrrolidin-2-yl-1H-pyrrole

  • Product code: SSC-164694
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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 5666-13-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

5666-13-7 / 2-pyrrolidin-2-yl-1H-pyrrole

Standard CAS: 5666-13-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
5666-13-7
Multi CAS
Yes
Molecular Formula
C8H12N2
Molecular Weight
136.190000
Exact Mass
136.100048
InChI
InChI=1S/C8H12N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,5,8-10H,2,4,6H2
InChIKey
TUIFIQOPWFJFNK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
2
Molar refractivity
40.77
TPSA
27.82

LogP / Solubility

WLOGP
1.44
MLOGP
1.26
XLogP3
0.6
Consensus LogP
1.1
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
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)
-2.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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