CAS RN: 15250-41-6
(S)-(+)-1,2-Diaminopropane-N,N,N’,N’-tetraacetic acid
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251221 | 50mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS15250-41-6
- Purity/Analytical Methods: >99.0%
15250-41-6 / 2-[[(2S)-2-[bis(carboxymethyl)amino]propyl]-(carboxymethyl)amino]acetic acid
Basic Information
CAS
15250-41-6
Multi CAS
No
Molecular Formula
C11H18N2O8
Molecular Weight
306.270000
Exact Mass
306.106316
SMILES
C[C@@H](CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C11H18N2O8/c1-7(13(5-10(18)19)6-11(20)21)2-12(3-8(14)15)4-9(16)17/h7H,2-6H2,1H3,(H,14,15)(H,16,17)(H,18,19)(H,20,21)/t7-/m0/s1
InChIKey
XNCSCQSQSGDGES-ZETCQYMHSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Fraction Csp3
0.64
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
68.02
TPSA
155.68
LogP / Solubility
WLOGP
-1.68
MLOGP
-1.47
XLogP3
-5.4
Consensus LogP
-2.85
Log S (ESOL)
0.05
Class (ESOL)
Highly soluble
Log S (Ali)
-0.86
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.57
Class (SILICOS-IT)
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)
-5.78
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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