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CAS 113049-35-7 1-(1-METHYL-1H-IMIDAZOL-2-YL)-PIPERAZINE molecular structure lightbox
CAS RN: 113049-35-7

1-(1-METHYL-1H-IMIDAZOL-2-YL)-PIPERAZINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-013256
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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 113049-35-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

113049-35-7 / 1-(1-methylimidazol-2-yl)piperazine

1-(1-methyl-1H-imidazol-2-yl)piperazine | 1-(1-methylimidazol-2-yl)piperazine | 1-(1-METHYL-1H-IMIDAZOL-2-YL)-PIPERAZINE

Standard CAS: 113049-35-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
113049-35-7
Multi CAS
No
Molecular Formula
C8H14N4
Molecular Weight
166.220000
Exact Mass
166.121846
SMILES
CN1C=CN=C1N2CCNCC2
InChI
InChI=1S/C8H14N4/c1-11-5-4-10-8(11)12-6-2-9-3-7-12/h4-5,9H,2-3,6-7H2,1H3
InChIKey
OYBUININCBHVPI-UHFFFAOYSA-N
Synonyms
1-(1-methyl-1H-imidazol-2-yl)piperazine 1-(1-methylimidazol-2-yl)piperazine 1-(1-METHYL-1H-IMIDAZOL-2-YL)-PIPERAZINE 1-(1-methyl-2-imidazolyl)piperazine F2158-0075

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.29
TPSA
33.09

LogP / Solubility

WLOGP
-0.17
MLOGP
-0.15
XLogP3
-0.2
Consensus LogP
-0.17
Log S (ESOL)
-1.01
Class (ESOL)
Soluble
Log S (Ali)
-0.8
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.72
Class (SILICOS-IT)
Very 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)
-3.85

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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