CAS RN: 1224728-09-9
Diamido-dPEG(R)11-diamine
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.20260410 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1224728-09-9
- Purity/Analytical Methods: >99.0%
1224728-09-9 / N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-3-[2-[2-[2-[2-[3-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
Basic Information
CAS
1224728-09-9
Multi CAS
No
Molecular Formula
C34H70N4O13
Molecular Weight
742.900000
Exact Mass
742.493938
SMILES
C(CN)COCCOCCOCCCNC(=O)CCOCCOCCOCCOCCOCCC(=O)NCCCOCCOCCOCCCN
InChI
InChI=1S/C34H70N4O13/c35-7-1-11-41-17-23-47-25-19-43-13-3-9-37-33(39)5-15-45-21-27-49-29-31-51-32-30-50-28-22-46-16-6-34(40)38-10-4-14-44-20-26-48-24-18-42-12-2-8-36/h1-32,35-36H2,(H,37,39)(H,38,40)
InChIKey
VQBJUJRROIKNNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
51
Fraction Csp3
0.94
Rotatable bonds
44
H-bond acceptors
15
H-bond donors
4
Molar refractivity
190.84
TPSA
211.77
LogP / Solubility
WLOGP
-0.34
MLOGP
-0.23
XLogP3
-3.4
Consensus LogP
-1.32
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-5.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.49
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.49
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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