CAS RN: 2044706-57-0
1,3-bis(1-methylcyclopropyl)urea
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260608 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-096215
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: 1g, 0.1g, 0.25g
- Available purity: ≥95%
- Inventory rows with stock: 1
- 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.
2044706-57-0 / 1,3-bis(1-methylcyclopropyl)urea
Basic Information
CAS
2044706-57-0
Multi CAS
No
Molecular Formula
C9H16N2O
Molecular Weight
168.240000
Exact Mass
168.126263
SMILES
CC1(CC1)NC(=O)NC2(CC2)C
InChI
InChI=1S/C9H16N2O/c1-8(3-4-8)10-7(12)11-9(2)5-6-9/h3-6H2,1-2H3,(H2,10,11,12)
InChIKey
NAAONROYYJWQQW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
2
Molar refractivity
46.95
TPSA
41.13
LogP / Solubility
WLOGP
1.39
MLOGP
1.22
XLogP3
0.8
Consensus LogP
1.14
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
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)
-2.76
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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