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CAS 1006463-47-3 2-piperidin-4-yl-1H-benziMidazole molecular structure lightbox
CAS RN: 1006463-47-3

2-piperidin-4-yl-1H-benziMidazole

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250406 100mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-001299
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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: 0.25g
  • 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 1006463-47-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Beijing Inquiry

1006463-47-3 / N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)furan-2-carboximidamide

N'-(1-isopropyl-1H-pyrazol-5-yl)-N-methylfuran-2-carboximidamide | N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]furan-2-carboximidamide | N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)furan-2-carboximidamide

Standard CAS: 1006463-47-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1006463-47-3
Multi CAS
Yes
Molecular Formula
C12H16N4O
Molecular Weight
232.280000
Exact Mass
232.132411
SMILES
CC(C)N1C(=CC=N1)NC(=NC)C2=CC=CO2
InChI
InChI=1S/C12H16N4O/c1-9(2)16-11(6-7-14-16)15-12(13-3)10-5-4-8-17-10/h4-9H,1-3H3,(H,13,15)
InChIKey
KFMKLNJWWFUWOZ-UHFFFAOYSA-N
Synonyms
N'-(1-isopropyl-1H-pyrazol-5-yl)-N-methylfuran-2-carboximidamide N-methyl-N'-[1-(propan-2-yl)-1H-pyrazol-5-yl]furan-2-carboximidamide N'-methyl-N-(2-propan-2-ylpyrazol-3-yl)furan-2-carboximidamide MFCD07366386 AKOS033005390

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
67.4
TPSA
55.35

LogP / Solubility

WLOGP
2.55
MLOGP
2.24
XLogP3
1.7
Consensus LogP
2.16
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.3
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.64
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.33

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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