CAS RN: 2243565-12-8
endo-BCN-PEG2-NHS ester
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250902 | 25mg / 50mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS2243565-12-8
- Purity/Analytical Methods: >99.0%
2243565-12-8 / (2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]propanoate
Basic Information
CAS
2243565-12-8
Multi CAS
No
Molecular Formula
C22H30N2O8
Molecular Weight
450.500000
Exact Mass
450.200216
SMILES
C1CC2C(C2COC(=O)NCCOCCOCCC(=O)ON3C(=O)CCC3=O)CCC#C1
InChI
InChI=1S/C22H30N2O8/c25-19-7-8-20(26)24(19)32-21(27)9-11-29-13-14-30-12-10-23-22(28)31-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15H2,(H,23,28)
InChIKey
HVVMKCPRACMDSI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Fraction Csp3
0.73
Rotatable bonds
12
H-bond acceptors
8
H-bond donors
1
Molar refractivity
109.5
TPSA
120.47
LogP / Solubility
WLOGP
1.18
MLOGP
1.07
XLogP3
1
Consensus LogP
1.08
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.11
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-4.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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