CAS RN: 144598-03-8
Amino-PEG4-(CH2)3CO2H
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.20250104 | 50mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS144598-03-8
- Purity/Analytical Methods: >99.0%
144598-03-8 / 4-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]butanoic acid
Basic Information
CAS
144598-03-8
Multi CAS
No
Molecular Formula
C12H25NO6
Molecular Weight
279.330000
Exact Mass
279.168188
SMILES
C(CC(=O)O)COCCOCCOCCOCCN
InChI
InChI=1S/C12H25NO6/c13-3-5-17-7-9-19-11-10-18-8-6-16-4-1-2-12(14)15/h1-11,13H2,(H,14,15)
InChIKey
FZYUSPZHUYZRPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.92
Rotatable bonds
15
H-bond acceptors
6
H-bond donors
2
Molar refractivity
69.2
TPSA
100.24
LogP / Solubility
WLOGP
-0.12
MLOGP
-0.1
XLogP3
-3.7
Consensus LogP
-1.31
Log S (ESOL)
-0.5
Class (ESOL)
Very soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-3.17
Class (SILICOS-IT)
Poorly 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)
-4.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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