CAS RN: 177987-04-1
Br-PEG7-Br
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-077905
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: >95%
- Inventory rows with stock: 3
- 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.
177987-04-1 / 1-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-2-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]ethane
Basic Information
CAS
177987-04-1
Multi CAS
No
Molecular Formula
C16H32Br2O7
Molecular Weight
496.200000
Exact Mass
496.049430
SMILES
C(COCCOCCOCCBr)OCCOCCOCCOCCBr
InChI
InChI=1S/C16H32Br2O7/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h1-16H2
InChIKey
WZVUWDFPUXHBBR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
22
H-bond acceptors
7
Molar refractivity
103.32
TPSA
64.61
LogP / Solubility
WLOGP
1.89
MLOGP
1.7
XLogP3
0.7
Consensus LogP
1.43
Log S (ESOL)
-2.66
Class (ESOL)
Moderately soluble
Log S (Ali)
-5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.1
Class (SILICOS-IT)
Insoluble
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)
-4.4
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
2.5
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