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CAS 149047-76-7 N-(2-methylpropyl)imidazole-1-carboxamide molecular structure lightbox
CAS RN: 149047-76-7

N-(2-methylpropyl)imidazole-1-carboxamide

  • Product code: SSC-059153
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 149047-76-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 1 In Stock Beijing Inquiry
0.25g >95% 1 In Stock Shenzhen Inquiry
1g >95% 1 In Stock Hong Kong Inquiry
5g >95% 0 Out of Stock Beijing Inquiry

149047-76-7 / N-(2-methylpropyl)imidazole-1-carboxamide

Standard CAS: 149047-76-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
149047-76-7
Multi CAS
No
Molecular Formula
C8H13N3O
Molecular Weight
167.210000
Exact Mass
167.105862
SMILES
CC(C)CNC(=O)N1C=CN=C1
InChI
InChI=1S/C8H13N3O/c1-7(2)5-10-8(12)11-4-3-9-6-11/h3-4,6-7H,5H2,1-2H3,(H,10,12)
InChIKey
WJTQGNRVNGDPSW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
45.86
TPSA
46.92

LogP / Solubility

WLOGP
1.1
MLOGP
0.96
XLogP3
0.8
Consensus LogP
0.95
Log S (ESOL)
-1.74
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
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)
-2.96

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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