CAS RN: 2101206-94-2
endo-BCN-PEG3-NHS ester
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250806 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS2101206-94-2
- Purity/Analytical Methods: >99.0%
2101206-94-2 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
2101206-94-2
Multi CAS
No
Molecular Formula
C24H34N2O9
Molecular Weight
494.500000
Exact Mass
494.226431
SMILES
C1CC2C(C2COC(=O)NCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1
InChI
InChI=1S/C24H34N2O9/c27-21-7-8-22(28)26(21)35-23(29)9-11-31-13-15-33-16-14-32-12-10-25-24(30)34-17-20-18-5-3-1-2-4-6-19(18)20/h18-20H,3-17H2,(H,25,30)
InChIKey
HCELGENRAWFQSJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.75
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
1
Molar refractivity
120.32
TPSA
129.7
LogP / Solubility
WLOGP
1.2
MLOGP
1.09
XLogP3
0.8
Consensus LogP
1.03
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.48
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.67
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-4.89
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
3.5
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