![CAS 72877-98-6 N,N”-Bis[2-(2-hydroxyethoxy)ethyl]-urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/72877-98-6.gif)
CAS RN: 72877-98-6
N,N”-Bis[2-(2-hydroxyethoxy)ethyl]-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.20251003 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS72877-98-6
- Purity/Analytical Methods: >99.0%
72877-98-6 / 1,3-bis[2-(2-hydroxyethoxy)ethyl]urea
Basic Information
CAS
72877-98-6
Multi CAS
No
Molecular Formula
C9H20N2O5
Molecular Weight
236.270000
Exact Mass
236.137222
InChI
InChI=1S/C9H20N2O5/c12-3-7-15-5-1-10-9(14)11-2-6-16-8-4-13/h12-13H,1-8H2,(H2,10,11,14)
InChIKey
NTVMILOZMRGPCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.89
Rotatable bonds
10
H-bond acceptors
5
H-bond donors
4
Molar refractivity
57.21
TPSA
100.05
LogP / Solubility
WLOGP
-1.7
MLOGP
-1.49
XLogP3
-2.3
Consensus LogP
-1.83
Log S (ESOL)
0.42
Class (ESOL)
Highly soluble
Log S (Ali)
-0.27
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.99
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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