CAS RN: 2093154-03-9
N-Benzyl-N-bis(PEG3-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.20260305 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2093154-03-9
- Purity/Analytical Methods: >99.0%
2093154-03-9 / 3-[2-[2-[2-[benzyl-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2093154-03-9
Multi CAS
No
Molecular Formula
C25H41NO10
Molecular Weight
515.600000
Exact Mass
515.273047
SMILES
C1=CC=C(C=C1)CN(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCC(=O)O
InChI
InChI=1S/C25H41NO10/c27-24(28)6-10-31-14-18-35-20-16-33-12-8-26(22-23-4-2-1-3-5-23)9-13-34-17-21-36-19-15-32-11-7-25(29)30/h1-5H,6-22H2,(H,27,28)(H,29,30)
InChIKey
YQSOIFQMGAZDSN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
6
Fraction Csp3
0.68
Rotatable bonds
26
H-bond acceptors
9
H-bond donors
2
Molar refractivity
131.14
TPSA
133.22
LogP / Solubility
WLOGP
1.54
MLOGP
1.39
XLogP3
-2.4
Consensus LogP
0.18
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.9
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.77
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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