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CAS 10087-65-7 4,5-DIHYDRO-3H,1’H-[2,2′]BIPYRROLYL molecular structure lightbox
CAS RN: 10087-65-7

4,5-DIHYDRO-3H,1’H-[2,2′]BIPYRROLYL

  • Product code: SSC-001612
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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 10087-65-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

10087-65-7 / 2-(3,4-dihydro-2H-pyrrol-5-yl)-1H-pyrrole

2-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole | 4',5'-Dihydro-1H,3'H-2,2'-bipyrrole | 1H-Pyrrole, 2-(3,4-dihydro-2H-pyrrol-5-yl)-

Standard CAS: 10087-65-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10087-65-7
Multi CAS
Yes
Molecular Formula
C8H10N2
Molecular Weight
134.180000
Exact Mass
134.084398
SMILES
C1CC(=NC1)C2=CC=CN2
InChI
InChI=1S/C8H10N2/c1-3-7(9-5-1)8-4-2-6-10-8/h1,3,5,9H,2,4,6H2
InChIKey
DTZKPTFBAXPYOT-UHFFFAOYSA-N
Synonyms
2-(3,4-Dihydro-2H-pyrrol-5-yl)-1H-pyrrole 4',5'-Dihydro-1H,3'H-2,2'-bipyrrole 1H-Pyrrole, 2-(3,4-dihydro-2H-pyrrol-5-yl)- MFCD00030437 2-(3,4-Dihydro-2H-pyrrol-5-yl)pyrrole

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.43
TPSA
28.15

LogP / Solubility

WLOGP
1.6
MLOGP
1.4
XLogP3
0.8
Consensus LogP
1.27
Log S (ESOL)
-1.98
Class (ESOL)
Soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.98
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)
-2.4

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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