CAS RN: 61940-71-4
3-propoxypropane-1,2-diol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250828 | 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS61940-71-4
- Purity/Analytical Methods: >99.0%
61940-71-4 / 3-propoxypropane-1,2-diol
Basic Information
CAS
61940-71-4
Multi CAS
Yes
Molecular Formula
C6H14O3
Molecular Weight
134.170000
Exact Mass
134.094294
InChI
InChI=1S/C6H14O3/c1-2-3-9-5-6(8)4-7/h6-8H,2-5H2,1H3
InChIKey
ZTKZJXGLCCVMLJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
34.2
TPSA
49.69
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.21
XLogP3
-0.3
Consensus LogP
-0.25
Log S (ESOL)
-0.19
Class (ESOL)
Very soluble
Log S (Ali)
-0.49
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.94
Class (SILICOS-IT)
Very 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)
-3.7
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
