CAS RN: 19006-59-8
1,1,3-Triethylurea
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250703 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS19006-59-8
- Purity/Analytical Methods: >99.0%
19006-59-8 / 1,1,3-triethylurea
Basic Information
CAS
19006-59-8
Multi CAS
No
Molecular Formula
C7H16N2O
Molecular Weight
144.210000
Exact Mass
144.126263
SMILES
CCNC(=O)N(CC)CC
InChI
InChI=1S/C7H16N2O/c1-4-8-7(10)9(5-2)6-3/h4-6H2,1-3H3,(H,8,10)
InChIKey
HJKYLTYAGGYRAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
41.99
TPSA
32.34
LogP / Solubility
WLOGP
1.06
MLOGP
0.92
XLogP3
0.7
Consensus LogP
0.89
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-1.51
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.84
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)
-2.85
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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