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: 5g, 0.1g, 0.25g, 1g, 10g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 4 In Stock | Shenzhen | Inquiry |
| 0.1g | ≥95% | 2 In Stock | Shanghai | Inquiry |
| 0.25g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 10g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
| 25g | ≥95% | 2 In Stock | Shenzhen | Inquiry |
154696-60-3 / N-cyclopentylimidazole-1-carboxamide
Basic Information
CAS
154696-60-3
Multi CAS
No
Molecular Formula
C9H13N3O
Molecular Weight
179.220000
Exact Mass
179.105862
SMILES
C1CCC(C1)NC(=O)N2C=CN=C2
InChI
InChI=1S/C9H13N3O/c13-9(12-6-5-10-7-12)11-8-3-1-2-4-8/h5-8H,1-4H2,(H,11,13)
InChIKey
VBPKISAUQDAIBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.41
TPSA
46.92
LogP / Solubility
WLOGP
1.38
MLOGP
1.21
XLogP3
1
Consensus LogP
1.2
Log S (ESOL)
-2.04
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately 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)
-2.83
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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