CAS RN: 1561-55-3
1-Propanol, 2,3-bis(tetradecyloxy)-
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20251101 | 100mg | Out of stock | Inquiry |
- Product code: starshine_CAS1561-55-3
- Purity/Analytical Methods: >99.0%
1561-55-3 / 2,3-di(tetradecoxy)propan-1-ol
Basic Information
CAS
1561-55-3
Multi CAS
No
Molecular Formula
C31H64O3
Molecular Weight
484.800000
Exact Mass
484.485546
SMILES
CCCCCCCCCCCCCCOCC(CO)OCCCCCCCCCCCCCC
InChI
InChI=1S/C31H64O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-30-31(29-32)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3
InChIKey
IAJHLVPJJCPWLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
1
Rotatable bonds
30
H-bond acceptors
3
H-bond donors
1
Molar refractivity
149.8
TPSA
38.69
LogP / Solubility
WLOGP
9.78
MLOGP
8.64
XLogP3
12.6
Consensus LogP
10.34
Log S (ESOL)
-7.03
Class (ESOL)
Insoluble
Log S (Ali)
-10.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.53
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
1.27
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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