CAS RN: 1418022-42-0
Biotin-PEG11-Amine
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250511 | 10mg / 50mg / 250mg | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
- Product code: SSC-052488
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 | Shanghai | Inquiry |
1418022-42-0 / 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Basic Information
CAS
1418022-42-0
Multi CAS
No
Molecular Formula
C34H66N4O13S
Molecular Weight
771.000000
Exact Mass
770.434709
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCN)NC(=O)N2
InChI
InChI=1S/C34H66N4O13S/c35-5-7-41-9-11-43-13-15-45-17-19-47-21-23-49-25-27-51-28-26-50-24-22-48-20-18-46-16-14-44-12-10-42-8-6-36-32(39)4-2-1-3-31-33-30(29-52-31)37-34(40)38-33/h30-31,33H,1-29,35H2,(H,36,39)(H2,37,38,40)/t30-,31-,33-/m0/s1
InChIKey
SHPHAOSBFNWGAC-PHDGFQFKSA-N
Computed Properties
Structural Parameters
Heavy atom count
52
Fraction Csp3
0.94
Rotatable bonds
40
H-bond acceptors
15
H-bond donors
4
Molar refractivity
195.03
TPSA
197.78
LogP / Solubility
WLOGP
-0.03
MLOGP
0.04
XLogP3
-2.5
Consensus LogP
-0.83
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-9.45
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.44
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
