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: ≥97%
- 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 | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
89141-22-0 / 2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
Basic Information
CAS
89141-22-0
Multi CAS
No
Molecular Formula
C12H26O5S2
Molecular Weight
314.500000
Exact Mass
314.122166
InChI
InChI=1S/C12H26O5S2/c18-11-9-16-7-5-14-3-1-13-2-4-15-6-8-17-10-12-19/h18-19H,1-12H2
InChIKey
DMHSDYYORJTHAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
16
H-bond acceptors
7
H-bond donors
2
Molar refractivity
81.8
TPSA
46.15
LogP / Solubility
WLOGP
0.93
MLOGP
0.83
XLogP3
0.1
Consensus LogP
0.62
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.4
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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1-Bromo-2-(2-methoxyethoxy)ethane (stabilized with Na2CO3)
- CAS RN: 54149-17-6
- Product Code: SSC-161724
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