CAS RN: 2664-61-1
3,3′,3”-Nitrilotris(propionamide)
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.20260211 | 5g / 25g / 100g / 500g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTN0342
- Purity/Analytical Methods: >98.0%(T)
2664-61-1 / 3-[bis(3-amino-3-oxopropyl)amino]propanamide
Basic Information
CAS
2664-61-1
Multi CAS
Yes
Molecular Formula
C9H18N4O3
Molecular Weight
230.260000
Exact Mass
230.137890
InChI
InChI=1S/C9H18N4O3/c10-7(14)1-4-13(5-2-8(11)15)6-3-9(12)16/h1-6H2,(H2,10,14)(H2,11,15)(H2,12,16)
InChIKey
RERXJGPPGMABOY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.67
Rotatable bonds
9
H-bond acceptors
4
H-bond donors
3
Molar refractivity
57.87
TPSA
132.51
LogP / Solubility
WLOGP
-2.09
MLOGP
-1.83
XLogP3
-3.2
Consensus LogP
-2.37
Log S (ESOL)
0.64
Class (ESOL)
Highly soluble
Log S (Ali)
0.06
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
-0.51
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)
-5.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
