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: 100g
- Available purity: ＞97%
- 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 |
|---|---|---|---|---|
| 100g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
540-10-3 / hexadecyl hexadecanoate
Basic Information
CAS
540-10-3
Multi CAS
Yes
Molecular Formula
C32H64O2
Molecular Weight
480.800000
Exact Mass
480.490631
InChI
InChI=1S/C32H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-32(33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKey
PXDJXZJSCPSGGI-UHFFFAOYSA-N
Physical Properties
Physical Description
Other Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
34
Fraction Csp3
0.97
Rotatable bonds
29
H-bond acceptors
2
Molar refractivity
151.58
TPSA
26.3
LogP / Solubility
WLOGP
11.49
MLOGP
10.15
XLogP3
15.2
Consensus LogP
12.28
Log S (ESOL)
-8.15
Class (ESOL)
Insoluble
Log S (Ali)
-11.8
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.8
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)
2.51
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
2.5
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- CAS RN: 1654-86-0
- Product Code: ICTD1080
- Purity/Analytical method: >95.0%(GC)
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