![CAS 1803547-60-5 2H-Pyran, 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]tetrahydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1803547-60-5.gif)
CAS RN: 1803547-60-5
2H-Pyran, 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]tetrahydro-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260627 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-080780
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 | Shanghai | Inquiry |
1803547-60-5 / 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]oxane
Basic Information
CAS
1803547-60-5
Multi CAS
No
Molecular Formula
C13H25BrO5
Molecular Weight
341.240000
Exact Mass
340.088540
SMILES
C1CCOC(C1)OCCOCCOCCOCCBr
InChI
InChI=1S/C13H25BrO5/c14-4-6-15-7-8-16-9-10-17-11-12-19-13-3-1-2-5-18-13/h13H,1-12H2
InChIKey
PITHQIWYWBVVCG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
1
Rotatable bonds
12
H-bond acceptors
5
Molar refractivity
75.79
TPSA
46.15
LogP / Solubility
WLOGP
1.97
MLOGP
1.75
XLogP3
1.3
Consensus LogP
1.67
Log S (ESOL)
-2.41
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.96
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)
-3.4
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
2
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