CAS RN: 1807501-87-6
exo-BCN-PEG2-Boc-Amine
Product Availability
Choose a grade to view its available package options.
5 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260629 | 100mg | In stock | Shanghai, Tianjin | Inquiry | |
| Batchno.20250718 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250112 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250805 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry | |
| Batchno.20251009 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS1807501-87-6
- Purity/Analytical Methods: >99.0%
1807501-87-6 / tert-butyl N-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethyl]carbamate
Basic Information
CAS
1807501-87-6
Multi CAS
No
Molecular Formula
C22H36N2O6
Molecular Weight
424.500000
Exact Mass
424.257337
SMILES
CC(C)(C)OC(=O)NCCOCCOCCNC(=O)OCC1C2C1CCC#CCC2
InChI
InChI=1S/C22H36N2O6/c1-22(2,3)30-21(26)24-11-13-28-15-14-27-12-10-23-20(25)29-16-19-17-8-6-4-5-7-9-18(17)19/h17-19H,6-16H2,1-3H3,(H,23,25)(H,24,26)
InChIKey
XPXWWKJBIIPHLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.82
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
2
Molar refractivity
111.94
TPSA
95.12
LogP / Solubility
WLOGP
2.71
MLOGP
2.41
XLogP3
2.7
Consensus LogP
2.61
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
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
Yes
Log Kp (skin permeation)
-3.39
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
