CAS RN: 1778736-31-4
Biotin-PEG5-OH
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-077755
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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
1778736-31-4 / 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-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]pentanamide
Basic Information
CAS
1778736-31-4
Multi CAS
No
Molecular Formula
C20H37N3O7S
Molecular Weight
463.600000
Exact Mass
463.235222
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCOCCO)NC(=O)N2
InChI
InChI=1S/C20H37N3O7S/c24-6-8-28-10-12-30-14-13-29-11-9-27-7-5-21-18(25)4-2-1-3-17-19-16(15-31-17)22-20(26)23-19/h16-17,19,24H,1-15H2,(H,21,25)(H2,22,23,26)/t16-,17-,19-/m0/s1
InChIKey
IIFSCYFMGWFCPT-LNLFQRSKSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.9
Rotatable bonds
19
H-bond acceptors
8
H-bond donors
4
Molar refractivity
117.33
TPSA
127.38
LogP / Solubility
WLOGP
-0.11
MLOGP
-0.07
XLogP3
-1.2
Consensus LogP
-0.46
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.86
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
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)
-5.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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