Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
4128-17-0 / 3,7,11-trimethyldodeca-2,6,10-trienyl acetate
Basic Information
CAS
4128-17-0
Multi CAS
Yes
Molecular Formula
C17H28O2
Molecular Weight
264.400000
Exact Mass
264.208930
InChI
InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3
InChIKey
ZGIGZINMAOQWLX-UHFFFAOYSA-N
Physical Properties
Density
0.908-0.914
Physical Description
Colourless liquid; Rosy floral aroma
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.59
Rotatable bonds
8
H-bond acceptors
2
Molar refractivity
82.05
TPSA
26.3
LogP / Solubility
WLOGP
4.97
MLOGP
4.38
XLogP3
5.3
Consensus LogP
4.88
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
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)
-0.81
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
1.5
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Acid Violet 17
- CAS RN: 4129-84-4
- Product Code: starshine_CAS4129-84-4
- Purity/Analytical method: >99.0%
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