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CAS 1009119-83-8 1H-IMidazole, 5,5′-[1,1′-biphenyl]-4,4′-diylbis[2-(2S)-2-pyrrolidinyl-, hydrochloride (1:4) molecular structure lightbox
CAS RN: 1009119-83-8

1H-IMidazole, 5,5′-[1,1′-biphenyl]-4,4′-diylbis[2-(2S)-2-pyrrolidinyl-, hydrochloride (1:4)

Product Availability

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7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250430 100g In stock Shanghai Inquiry
Batchno.20260426 1g In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260619 1g In stock Shanghai, Chongqing Inquiry
Batchno.20250706 25g In stock Shanghai Inquiry
Batchno.20251129 25g Out of stock 5-7 business days Inquiry
Batchno.20250505 5g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251031 5g In stock Shanghai Inquiry
  • Product code: SSC-001671
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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: 5g
  • 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 1009119-83-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1009119-83-8 / 2-[(2S)-pyrrolidin-2-yl]-5-[4-[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazole;tetrahydrochloride

EC 807-342-7 | 2-((2S)-Pyrrolidin-2-yl)-5-(4-(4-(2-((2S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)phenyl)-1himidazole tetrahydrochloride | 2-[(2S)-pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-1Himidazole tetrahydrochloride

Standard CAS: 1009119-83-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1009119-83-8
Multi CAS
Yes
Molecular Formula
C26H32Cl4N6
Molecular Weight
570.400000
Exact Mass
570.141306
SMILES
C1C[C@H](NC1)C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6CCCN6.Cl.Cl.Cl.Cl
InChI
InChI=1S/C26H28N6.4ClH/c1-3-21(27-13-1)25-29-15-23(31-25)19-9-5-17(6-10-19)18-7-11-20(12-8-18)24-16-30-26(32-24)22-4-2-14-28-22;;;;/h5-12,15-16,21-22,27-28H,1-4,13-14H2,(H,29,31)(H,30,32);4*1H/t21-,22-;;;;/m0..../s1
InChIKey
AYOXSBJGFNPGNK-VDUNKYASSA-N
Synonyms
EC 807-342-7 2-((2S)-Pyrrolidin-2-yl)-5-(4-(4-(2-((2S)-pyrrolidin-2-yl)-1H-imidazol-5-yl)phenyl)phenyl)-1himidazole tetrahydrochloride 2-[(2S)-pyrrolidin-2-yl]-5-[4-(4-{2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl}phenyl)phenyl]-1Himidazole tetrahydrochloride RefChem:447917 807-342-7

Computed Properties

Structural Parameters

Heavy atom count
36
Aromatic heavy atom count
22
Fraction Csp3
0.31
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
4
Molar refractivity
155.99
TPSA
81.42

LogP / Solubility

WLOGP
6.67
MLOGP
5.91
XLogP3
6.67
Consensus LogP
6.42
Log S (ESOL)
-7.7
Class (ESOL)
Insoluble
Log S (Ali)
-9.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.5
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.46

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
6.5

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