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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
8008-74-0 / hexadecanoic acid;(9Z,12Z)-octadeca-9,12-dienoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
Basic Information
CAS
8008-74-0
Multi CAS
Yes
Molecular Formula
C70H134O8
Molecular Weight
1103.800000
Exact Mass
1103.007871
InChI
InChI=1S/C18H36O2.C18H34O2.C18H32O2.C16H32O2/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-17H2,1H3,(H,19,20);9-10H,2-8,11-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);2-15H2,1H3,(H,17,18)/b;10-9-;7-6-,10-9-;
InChIKey
UAKWPJAYOBUUBC-CDLHYPJOSA-N
Computed Properties
Structural Parameters
Heavy atom count
78
Fraction Csp3
0.86
Rotatable bonds
59
H-bond acceptors
4
H-bond donors
4
Molar refractivity
339.21
TPSA
149.2
LogP / Solubility
WLOGP
23.88
MLOGP
21.12
XLogP3
23.88
Consensus LogP
22.96
Log S (ESOL)
-17.83
Class (ESOL)
Insoluble
Log S (Ali)
-25.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-33.73
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
7.5
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
