CAS RN: 1786206-22-1
Biotin-PEG3-oxyamine
Product Availability
Choose a grade to view its available package options.
8 package records3 with current stock2 grade groups
- Product code: SSC-079500
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
1786206-22-1 / N-[2-[2-[2-(2-aminooxyethoxy)ethoxy]ethoxy]ethyl]-5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanamide
Basic Information
CAS
1786206-22-1
Multi CAS
No
Molecular Formula
C18H34N4O6S
Molecular Weight
434.600000
Exact Mass
434.219906
SMILES
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCON)NC(=O)N2
InChI
InChI=1S/C18H34N4O6S/c19-28-12-11-27-10-9-26-8-7-25-6-5-20-16(23)4-2-1-3-15-17-14(13-29-15)21-18(24)22-17/h14-15,17H,1-13,19H2,(H,20,23)(H2,21,22,24)
InChIKey
OLCOSDGJNTXSBD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.89
Rotatable bonds
17
H-bond acceptors
8
H-bond donors
4
Molar refractivity
109.56
TPSA
133.17
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.18
XLogP3
-1.3
Consensus LogP
-0.57
Log S (ESOL)
-1.27
Class (ESOL)
Soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
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)
-5.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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