CAS RN: 629-23-2
3-Tetradecanone
Product Availability
Choose a grade to view its available package options.
2 package records1 with current stock1 grade group
- Product code: SSC-172290
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 | Beijing | Inquiry |
629-23-2 / tetradecan-3-one
Basic Information
CAS
629-23-2
Multi CAS
Yes
Molecular Formula
C14H28O
Molecular Weight
212.370000
Exact Mass
212.214016
InChI
InChI=1S/C14H28O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h3-13H2,1-2H3
InChIKey
OCHYRSKMMMYUMI-UHFFFAOYSA-N
Physical Properties
Physical Description
Melting point = 34 deg C; [ChemIDplus] Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.93
Rotatable bonds
11
H-bond acceptors
1
Molar refractivity
67.14
TPSA
17.07
LogP / Solubility
WLOGP
4.89
MLOGP
4.3
XLogP3
5.6
Consensus LogP
4.93
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.83
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.42
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)
-0.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
