CAS RN: 1346502-15-5
Br-PEG3-CH2CO2H
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-042496
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.
1346502-15-5 / 2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]acetic acid
Basic Information
CAS
1346502-15-5
Multi CAS
No
Molecular Formula
C8H15BrO5
Molecular Weight
271.110000
Exact Mass
270.010290
SMILES
C(COCCBr)OCCOCC(=O)O
InChI
InChI=1S/C8H15BrO5/c9-1-2-12-3-4-13-5-6-14-7-8(10)11/h1-7H2,(H,10,11)
InChIKey
MNTZZZWRXHWCSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
1
Molar refractivity
53.89
TPSA
64.99
LogP / Solubility
WLOGP
0.52
MLOGP
0.46
XLogP3
0.1
Consensus LogP
0.36
Log S (ESOL)
-1.19
Class (ESOL)
Soluble
Log S (Ali)
-2.16
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
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)
-4.01
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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