CAS RN: 2183440-72-2
N-(Azido-PEG3)-NH-PEG3-acid HCl salt
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250122 | 100mg | In stock | Shandong | Inquiry |
- Product code: starshine_CAS2183440-72-2
- Purity/Analytical Methods: >99.0%
2183440-72-2 / 3-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2183440-72-2
Multi CAS
No
Molecular Formula
C17H34N4O8
Molecular Weight
422.500000
Exact Mass
422.237664
SMILES
C(COCCOCCOCCNCCOCCOCCOCCN=[N+]=[N-])C(=O)O
InChI
InChI=1S/C17H34N4O8/c18-21-20-4-8-27-12-16-29-15-11-26-7-3-19-2-6-25-10-14-28-13-9-24-5-1-17(22)23/h19H,1-16H2,(H,22,23)
InChIKey
CDPBBXHRNSHWQA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.94
Rotatable bonds
24
H-bond acceptors
9
H-bond donors
2
Molar refractivity
104.05
TPSA
153.47
LogP / Solubility
WLOGP
0.46
MLOGP
0.43
XLogP3
-3
Consensus LogP
-0.7
Log S (ESOL)
-1.17
Class (ESOL)
Soluble
Log S (Ali)
-3.36
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly 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)
-4.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: SSC-105263
![CAS 2183514-08-9 “[S(R)]-N-((1S)-(Adamantan-1-yl)(5-(diphenylphosphanyl)-9,9-dimethyl-9H-xanthen-4-yl)methyl)-2-methyl-2-propanesulfinamide” molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2183514-08-9.png)