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.
185378-83-0 / 3-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]prop-1-yne
Basic Information
CAS
185378-83-0
Multi CAS
No
Molecular Formula
C16H26O6
Molecular Weight
314.370000
Exact Mass
314.172939
SMILES
C#CCOCCOCCOCCOCCOCCOCC#C
InChI
InChI=1S/C16H26O6/c1-3-5-17-7-9-19-11-13-21-15-16-22-14-12-20-10-8-18-6-4-2/h1-2H,5-16H2
InChIKey
UDOWAMKIEUIBMU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
0.75
Rotatable bonds
17
H-bond acceptors
6
Molar refractivity
82.58
TPSA
55.38
LogP / Solubility
WLOGP
0.35
MLOGP
0.32
XLogP3
-0.4
Consensus LogP
0.09
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.04
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)
-4.39
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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