CAS RN: 32701-19-2
Ethylenediamine-N,N’-diacetic-N,N’-dipropionic Acid
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.20260526 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: ICTE0288
- Purity/Analytical Methods: >98.0%(T)
32701-19-2 / 3-[2-[2-carboxyethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]propanoic acid
Basic Information
CAS
32701-19-2
Multi CAS
Yes
Molecular Formula
C12H20N2O8
Molecular Weight
320.300000
Exact Mass
320.121966
InChI
InChI=1S/C12H20N2O8/c15-9(16)1-3-13(7-11(19)20)5-6-14(8-12(21)22)4-2-10(17)18/h1-8H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)
InChIKey
IZQWNOQOAFSHOK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.67
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
4
Molar refractivity
72.66
TPSA
155.68
LogP / Solubility
WLOGP
-1.29
MLOGP
-1.12
XLogP3
-6.1
Consensus LogP
-2.84
Log S (ESOL)
-0.15
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.23
Class (SILICOS-IT)
Moderately 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)
-5.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
-
Trisodium N-(1-Carboxylatoethyl)iminodiacetate
- CAS RN: 164462-16-2
- Product Code: SSC-071903
-
-
