CAS RN: 557-61-9
1-Octacosanol
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-163639
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: ≥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 |
|---|---|---|---|---|
| 100g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
557-61-9 / octacosan-1-ol
Basic Information
CAS
557-61-9
Multi CAS
Yes
Molecular Formula
C28H58O
Molecular Weight
410.800000
Exact Mass
410.448766
InChI
InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
InChIKey
CNNRPFQICPFDPO-UHFFFAOYSA-N
Physical Properties
Melting Point
181.9 °F (NTP, 1992)
83.2 - 83.4 °C
Boiling Point
392 to 482 °F at 1 mmHg (sublimes) (NTP, 1992)
Physical Description
1-octacosanol is a white crystalline powder. (NTP, 1992)
White solid; [CAMEO] White powder;
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
1
Rotatable bonds
26
H-bond acceptors
1
H-bond donors
1
Molar refractivity
132.8
TPSA
20.23
LogP / Solubility
WLOGP
10.14
MLOGP
8.95
XLogP3
13.8
Consensus LogP
10.96
Log S (ESOL)
-7.06
Class (ESOL)
Insoluble
Log S (Ali)
-10.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.87
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)
1.97
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
