CAS RN: 28303-42-6
DODECYL FORMATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250525 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS28303-42-6
- Purity/Analytical Methods: >99.0%
28303-42-6 / dodecyl formate
Basic Information
CAS
28303-42-6
Multi CAS
No
Molecular Formula
C13H26O2
Molecular Weight
214.340000
Exact Mass
214.193280
InChI
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-15-13-14/h13H,2-12H2,1H3
InChIKey
WPSGFSPBRBRLIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
12
H-bond acceptors
2
Molar refractivity
63.86
TPSA
26.3
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
5.7
Consensus LogP
4.46
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.88
Class (SILICOS-IT)
Slightly soluble
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)
-1.13
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
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