CAS RN: 1931-78-8
1,3-Propanediol, 2-(hexadecyloxy)-
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.20251127 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1931-78-8
- Purity/Analytical Methods: >99.0%
1931-78-8 / 2-hexadecoxypropane-1,3-diol
Basic Information
CAS
1931-78-8
Multi CAS
No
Molecular Formula
C19H40O3
Molecular Weight
316.500000
Exact Mass
316.297745
SMILES
CCCCCCCCCCCCCCCCOC(CO)CO
InChI
InChI=1S/C19H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-19(17-20)18-21/h19-21H,2-18H2,1H3
InChIKey
SCCPMVQRKUJKLD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Fraction Csp3
1
Rotatable bonds
18
H-bond acceptors
3
H-bond donors
2
Molar refractivity
94.22
TPSA
49.69
LogP / Solubility
WLOGP
4.84
MLOGP
4.27
XLogP3
6.5
Consensus LogP
5.2
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.89
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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