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CAS 10087-64-6 1H,1’H-2,2′-Bipyrrole molecular structure lightbox
CAS RN: 10087-64-6

1H,1’H-2,2′-Bipyrrole

  • Product code: SSC-001611
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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: ＞97%
  • 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 10087-64-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

10087-64-6 / 2-(1H-pyrrol-2-yl)-1H-pyrrole

2,2'-Bipyrrole | DTXSID40293595 | RefChem:80693

Standard CAS: 10087-64-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10087-64-6
Multi CAS
Yes
Molecular Formula
C8H8N2
Molecular Weight
132.160000
Exact Mass
132.068748
SMILES
C1=CNC(=C1)C2=CC=CN2
InChI
InChI=1S/C8H8N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6,9-10H
InChIKey
ULUNQYODBKLBOE-UHFFFAOYSA-N
Synonyms
2,2'-Bipyrrole DTXSID40293595 RefChem:80693 DTXCID50244735 1H,1'H-2,2'-Bipyrrole

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond donors
2
Molar refractivity
40.58
TPSA
31.58

LogP / Solubility

WLOGP
2.01
MLOGP
1.76
XLogP3
1.2
Consensus LogP
1.66
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-2.1

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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