CAS RN: 29681-21-8
Triethylene Glycol Monoisopropyl Ether
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-132753
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Beijing | Inquiry |
29681-21-8 / 1-[2-(2-propan-2-yloxyethoxy)ethoxy]ethanol
Basic Information
CAS
29681-21-8
Multi CAS
Yes
Molecular Formula
C9H20O4
Molecular Weight
192.250000
Exact Mass
192.136159
InChI
InChI=1S/C9H20O4/c1-8(2)12-6-4-11-5-7-13-9(3)10/h8-10H,4-7H2,1-3H3
InChIKey
PMMZQEGTYWCTBY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.54
TPSA
47.92
LogP / Solubility
WLOGP
0.78
MLOGP
0.69
XLogP3
0.4
Consensus LogP
0.62
Log S (ESOL)
-1
Class (ESOL)
Very soluble
Log S (Ali)
-1.7
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.52
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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
