CAS RN: 629-90-3
Heptadecanal
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock1 grade group
- Product code: SSC-172316
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 | Shanghai | Inquiry |
629-90-3 / heptadecanal
Basic Information
CAS
629-90-3
Multi CAS
Yes
Molecular Formula
C17H34O
Molecular Weight
254.500000
Exact Mass
254.260966
InChI
InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h17H,2-16H2,1H3
InChIKey
PIYDVAYKYBWPPY-UHFFFAOYSA-N
Physical Properties
Melting Point
36 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.94
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
80.99
TPSA
17.07
LogP / Solubility
WLOGP
6.06
MLOGP
5.34
XLogP3
7.6
Consensus LogP
6.33
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.14
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
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)
0.03
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
1.5
