CAS RN: 54648-79-2
N,N’-Diisopropyl-O-methylisourea
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.20250510 | 1ml | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-162414
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: 5ml
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 5ml | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
54648-79-2 / methyl N,N'-di(propan-2-yl)carbamimidate
Basic Information
CAS
54648-79-2
Multi CAS
Yes
Molecular Formula
C8H18N2O
Molecular Weight
158.240000
Exact Mass
158.141913
InChI
InChI=1S/C8H18N2O/c1-6(2)9-8(11-5)10-7(3)4/h6-7H,1-5H3,(H,9,10)
InChIKey
PUVRRPLSJKDMKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
0.88
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.85
TPSA
33.62
LogP / Solubility
WLOGP
1.4
MLOGP
1.22
XLogP3
1.6
Consensus LogP
1.41
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.86
Class (Ali)
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)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
