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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
2093154-00-6 / 3-[2-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Basic Information
CAS
2093154-00-6
Multi CAS
No
Molecular Formula
C18H32O9
Molecular Weight
392.400000
Exact Mass
392.204633
SMILES
C#CCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C18H32O9/c1-2-4-21-6-8-23-10-12-25-14-16-27-17-15-26-13-11-24-9-7-22-5-3-18(19)20/h1H,3-17H2,(H,19,20)
InChIKey
VCXGERMSMMAGNQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.83
Rotatable bonds
22
H-bond acceptors
8
H-bond donors
1
Molar refractivity
96.82
TPSA
101.91
LogP / Solubility
WLOGP
0.21
MLOGP
0.21
XLogP3
-1.2
Consensus LogP
-0.26
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-2.93
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-5.03
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.96
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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