CAS RN: 91648-24-7
1,3-Propanediol, 2,2-bis(hydroxymethyl)-, allyl ether
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251027 | 25g / 100g / 500g | Confirm by inquiry | Shanghai, Shandong | 15 business days | Inquiry |
- Product code: starshine_CAS91648-24-7
- Purity/Analytical Methods: >99.0%
91648-24-7 / 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol
Basic Information
CAS
91648-24-7
Multi CAS
Yes
Molecular Formula
C14H24O4
Molecular Weight
256.340000
Exact Mass
256.167459
InChI
InChI=1S/C14H24O4/c1-4-7-16-11-14(10-15,12-17-8-5-2)13-18-9-6-3/h4-6,15H,1-3,7-13H2
InChIKey
FYRWKWGEFZTOQI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.57
Rotatable bonds
13
H-bond acceptors
4
H-bond donors
1
Molar refractivity
72.57
TPSA
47.92
LogP / Solubility
WLOGP
1.57
MLOGP
1.39
XLogP3
1.1
Consensus LogP
1.35
Log S (ESOL)
-1.56
Class (ESOL)
Soluble
Log S (Ali)
-2.8
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-4.19
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)
-3.17
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
1.5
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