![CAS 2167807-41-0 Ethanol, 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-, 1-methanesulfonate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2167807-41-0.png)
CAS RN: 2167807-41-0
Ethanol, 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-, 1-methanesulfonate
- Product code: SSC-104134
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >97%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 2 In Stock | Beijing | Inquiry |
| 0.1g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 0.25g | -- | 2 In Stock | Beijing | Inquiry |
| 0.25g | >97% | 2 In Stock | Hong Kong | Inquiry |
| 1g | -- | 2 In Stock | Shenzhen | Inquiry |
| 1g | >97% | 2 In Stock | Shenzhen | Inquiry |
2167807-41-0 / 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl methanesulfonate
Basic Information
CAS
2167807-41-0
Multi CAS
No
Molecular Formula
C9H19BrO6S
Molecular Weight
335.210000
Exact Mass
334.008570
SMILES
CS(=O)(=O)OCCOCCOCCOCCBr
InChI
InChI=1S/C9H19BrO6S/c1-17(11,12)16-9-8-15-7-6-14-5-4-13-3-2-10/h2-9H2,1H3
InChIKey
LUIMQGOWWSFHND-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
6
Molar refractivity
67.05
TPSA
71.06
LogP / Solubility
WLOGP
0.41
MLOGP
0.37
Consensus LogP
0.26
Log S (ESOL)
-1.38
Class (ESOL)
Soluble
Log S (Ali)
-2.6
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.62
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)
-4.48
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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