CAS RN: 65733-18-8
S-HYDROPRENE
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.20250326 | 50mg | In stock | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS65733-18-8
- Purity/Analytical Methods: >99.0%
65733-18-8 / ethyl 3,7,11-trimethyldodeca-2,4-dienoate
Basic Information
CAS
65733-18-8
Multi CAS
Yes
Molecular Formula
C17H30O2
Molecular Weight
266.400000
Exact Mass
266.224580
InChI
InChI=1S/C17H30O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h8,12-15H,6-7,9-11H2,1-5H3/b12-8+,16-13+/t15-/m0/s1
InChIKey
FYQGBXGJFWXIPP-OJROSNHMSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.71
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
82
TPSA
26.3
LogP / Solubility
WLOGP
4.9
MLOGP
4.32
XLogP3
6.2
Consensus LogP
5.14
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.54
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
