CAS RN: 6736-40-9
N-Methyl-5-methylamino-1H-imidazole-4-carboxamide
- Product code: SSC-177068
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: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
6736-40-9 / N-methyl-4-(methylamino)-1H-imidazole-5-carboxamide
Basic Information
CAS
6736-40-9
Multi CAS
No
Molecular Formula
C6H10N4O
Molecular Weight
154.170000
Exact Mass
154.085461
InChI
InChI=1S/C6H10N4O/c1-7-5-4(6(11)8-2)9-3-10-5/h3,7H,1-2H3,(H,8,11)(H,9,10)
InChIKey
HBYDWASAZICSRC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
41.52
TPSA
69.81
LogP / Solubility
WLOGP
-0.19
MLOGP
-0.17
XLogP3
0.5
Consensus LogP
0.05
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.69
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.75
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)
-3.79
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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![CAS 6736-86-3 (2S,3R,4S,5S,6R)-2-[[(1aS,1bS,2S,5aR,6S,6aS)-6-hydroxy-1a-(hydroxymethyl)-2,4,5,5a,6,6a-hexahydro-1bH-oxireno[5,6]cyclopenta[1,3-c]pyran-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6736-86-3.gif)
