CAS RN: 1807501-83-2
endo-BCN-PEG4-t-butyl ester
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.20250710 | 50mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1807501-83-2
- Purity/Analytical Methods: >99.0%
1807501-83-2 / tert-butyl 3-[2-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Basic Information
CAS
1807501-83-2
Multi CAS
No
Molecular Formula
C26H43NO8
Molecular Weight
497.600000
Exact Mass
497.298867
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2
InChI
InChI=1S/C26H43NO8/c1-26(2,3)35-24(28)10-12-30-14-16-32-18-19-33-17-15-31-13-11-27-25(29)34-20-23-21-8-6-4-5-7-9-22(21)23/h21-23H,6-20H2,1-3H3,(H,27,29)
InChIKey
BSCLHAMNOSOPKH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.85
Rotatable bonds
17
H-bond acceptors
8
H-bond donors
1
Molar refractivity
129.8
TPSA
101.55
LogP / Solubility
WLOGP
2.95
MLOGP
2.63
XLogP3
2.5
Consensus LogP
2.69
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.77
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.38
Class (SILICOS-IT)
Insoluble
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
Yes
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5
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