CAS RN: 16669-54-8
2,2′,2”-Nitrilotriacetic acid triethyl ester
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.20260131 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS16669-54-8
- Purity/Analytical Methods: >99.0%
16669-54-8 / ethyl 2-[bis(2-ethoxy-2-oxoethyl)amino]acetate
Basic Information
CAS
16669-54-8
Multi CAS
No
Molecular Formula
C12H21NO6
Molecular Weight
275.300000
Exact Mass
275.136887
SMILES
CCOC(=O)CN(CC(=O)OCC)CC(=O)OCC
InChI
InChI=1S/C12H21NO6/c1-4-17-10(14)7-13(8-11(15)18-5-2)9-12(16)19-6-3/h4-9H2,1-3H3
InChIKey
CXOBWJYMBBMTBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.75
Rotatable bonds
9
H-bond acceptors
7
Molar refractivity
66.34
TPSA
82.14
LogP / Solubility
WLOGP
-0.02
MLOGP
-0.01
XLogP3
1.1
Consensus LogP
0.36
Log S (ESOL)
-0.94
Class (ESOL)
Very soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.51
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-4.42
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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- Product Code: starshine_CAS16679-58-6
- Purity/Analytical method: >99.0%
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