CAS RN: 1807539-01-0
t-Boc-Aminoxy-PEG4-Tos
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.20260222 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-082000
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.25g
- Available purity: ＞95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞95% | 0 Out of Stock | Beijing | Inquiry |
1807539-01-0 / 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
Basic Information
CAS
1807539-01-0
Multi CAS
No
Molecular Formula
C20H33NO9S
Molecular Weight
463.500000
Exact Mass
463.187603
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCONC(=O)OC(C)(C)C
InChI
InChI=1S/C20H33NO9S/c1-17-5-7-18(8-6-17)31(23,24)29-16-14-27-12-10-25-9-11-26-13-15-28-21-19(22)30-20(2,3)4/h5-8H,9-16H2,1-4H3,(H,21,22)
InChIKey
ILJUQOOWAYCBJG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
15
H-bond acceptors
9
H-bond donors
1
Molar refractivity
112.1
TPSA
118.62
LogP / Solubility
WLOGP
2.21
MLOGP
1.97
XLogP3
1.9
Consensus LogP
2.03
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.3
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
No
Log Kp (skin permeation)
-3.98
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
2.5
