CAS RN: 282540-12-9
3-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)thiophene
- Product code: SSC-129134
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 |
282540-12-9 / 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]thiophene
Basic Information
CAS
282540-12-9
Multi CAS
No
Molecular Formula
C11H18O4S
Molecular Weight
246.330000
Exact Mass
246.092580
InChI
InChI=1S/C11H18O4S/c1-12-3-4-13-5-6-14-7-8-15-11-2-9-16-10-11/h2,9-10H,3-8H2,1H3
InChIKey
JGKVRFWKUBAWKK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
5
Fraction Csp3
0.64
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
63.33
TPSA
36.92
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.1
Consensus LogP
1.5
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.96
Class (SILICOS-IT)
Poorly 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)
-2.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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