CAS RN: 1072-33-9
Tridecyl Acetate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260328 | 25g | Out of stock | Inquiry |
- Product code: SSC-008654
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shanghai | Inquiry |
1072-33-9 / tridecyl acetate
TRIDECYL ACETATE | RefChem:1100382 | Acetic Acid Tridecyl Ester
Basic Information
CAS
1072-33-9
Multi CAS
No
Molecular Formula
C15H30O2
Molecular Weight
242.400000
Exact Mass
242.224580
SMILES
CCCCCCCCCCCCCOC(=O)C
InChI
InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-17-15(2)16/h3-14H2,1-2H3
InChIKey
ZDRNMODJXFOYMN-UHFFFAOYSA-N
Synonyms
TRIDECYL ACETATE
RefChem:1100382
Acetic Acid Tridecyl Ester
TRIDECYLACETATE
1-Tridecanol, acetate
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
73.09
TPSA
26.3
LogP / Solubility
WLOGP
4.86
MLOGP
4.28
XLogP3
6.1
Consensus LogP
5.08
Log S (ESOL)
-3.61
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.71
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)
-0.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
