CAS RN: 57499-93-1
TRIPROPYLENEGLYCOLN-BUTYLETHER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20251007 | 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS57499-93-1
- Purity/Analytical Methods: >99.0%
57499-93-1 / 1-[1-(1-butoxypropan-2-yloxy)propan-2-yloxy]propan-2-ol
Basic Information
CAS
57499-93-1
Multi CAS
Yes
Molecular Formula
C13H28O4
Molecular Weight
248.360000
Exact Mass
248.198759
InChI
InChI=1S/C13H28O4/c1-5-6-7-15-9-12(3)17-10-13(4)16-8-11(2)14/h11-14H,5-10H2,1-4H3
InChIKey
LORVPHHKJFSORQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
1
Rotatable bonds
11
H-bond acceptors
4
H-bond donors
1
Molar refractivity
68.24
TPSA
47.92
LogP / Solubility
WLOGP
1.99
MLOGP
1.76
XLogP3
1.6
Consensus LogP
1.78
Log S (ESOL)
-1.91
Class (ESOL)
Soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.25
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)
-2.82
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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