CAS RN: 675606-48-1
BnO-PEG4-CH2CH2Br
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: SSC-177254
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
675606-48-1 / 2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
Basic Information
CAS
675606-48-1
Multi CAS
No
Molecular Formula
C17H27BRO5
Molecular Weight
391.300000
Exact Mass
390.104190
InChI
InChI=1S/C17H27BrO5/c18-6-7-19-8-9-20-10-11-21-12-13-22-14-15-23-16-17-4-2-1-3-5-17/h1-5H,6-16H2
InChIKey
QHBDCYDPGFZZQE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
16
H-bond acceptors
5
Molar refractivity
93.17
TPSA
46.15
LogP / Solubility
WLOGP
2.66
MLOGP
2.37
XLogP3
1.7
Consensus LogP
2.24
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.33
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.22
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
2.5
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