CAS RN: 2320560-36-7
2-(Azido-PEG3-amido)-1,3-bis(NHS ester)
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260204 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2320560-36-7
- Purity/Analytical Methods: >99.0%
2320560-36-7 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[3-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]propanoylamino]-3-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]propoxy]propanoate
Basic Information
CAS
2320560-36-7
Multi CAS
No
Molecular Formula
C26H38N6O14
Molecular Weight
658.600000
Exact Mass
658.244600
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCC(COCCC(=O)ON2C(=O)CCC2=O)NC(=O)CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C26H38N6O14/c27-30-28-8-12-41-14-16-42-15-13-40-9-5-20(33)29-19(17-43-10-6-25(38)45-31-21(34)1-2-22(31)35)18-44-11-7-26(39)46-32-23(36)3-4-24(32)37/h19H,1-18H2,(H,29,33)
InChIKey
IKNSPJWCHQONRB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Fraction Csp3
0.73
Rotatable bonds
25
H-bond acceptors
15
H-bond donors
1
Molar refractivity
148.25
TPSA
251.37
LogP / Solubility
WLOGP
-0.75
MLOGP
-0.61
XLogP3
-2.4
Consensus LogP
-1.25
Log S (ESOL)
-1.8
Class (ESOL)
Soluble
Log S (Ali)
-4.42
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.32
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.27
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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