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: 100g
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
20324-33-8 / 1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
Basic Information
CAS
20324-33-8
Multi CAS
No
Molecular Formula
C10H22O4
Molecular Weight
206.280000
Exact Mass
206.151809
SMILES
CC(COC(C)COC(C)COC)O
InChI
InChI=1S/C10H22O4/c1-8(11)5-13-10(3)7-14-9(2)6-12-4/h8-11H,5-7H2,1-4H3
InChIKey
HPFDGTFXAVIVTH-UHFFFAOYSA-N
Physical Properties
Physical Description
Liquid
Colorless liquid; [Hawley]
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.38
TPSA
47.92
LogP / Solubility
WLOGP
0.82
MLOGP
0.73
XLogP3
0.4
Consensus LogP
0.65
Log S (ESOL)
-1.11
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.64
Class (SILICOS-IT)
Moderately 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)
-3.39
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (97.4%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (74.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H412 (23.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Not Classified
Reported as not meeting GHS hazard criteria by 5 of 5 companies. For more detailed information, please visit ECHA C&L website.
Precautionary Statement Codes
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501
