CAS RN: 55683-11-9
Propionic acid 1-methylnonyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251028 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS55683-11-9
- Purity/Analytical Methods: >99.0%
55683-11-9 / decan-2-yl propanoate
Basic Information
CAS
55683-11-9
Multi CAS
No
Molecular Formula
C13H26O2
Molecular Weight
214.340000
Exact Mass
214.193280
InChI
InChI=1S/C13H26O2/c1-4-6-7-8-9-10-11-12(3)15-13(14)5-2/h12H,4-11H2,1-3H3
InChIKey
HJQHFVTZMYPNGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.92
Rotatable bonds
9
H-bond acceptors
2
Molar refractivity
63.84
TPSA
26.3
LogP / Solubility
WLOGP
4.08
MLOGP
3.59
XLogP3
5
Consensus LogP
4.22
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.26
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.52
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
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
-
(1R,5S,6s)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid
- CAS RN: 55685-58-0
- Product Code: SSC-163603
-
-
-
QUINOXALINE, 2,3-DICHLORO-6-(TRIFLUOROMETHYL)-
- CAS RN: 55686-95-8
- Product Code: starshine_CAS55686-95-8
- Purity/Analytical method: >99.0%
-
![CAS 55685-58-0 (1R,5S,6s)-3-Oxabicyclo[3.1.0]hexane-6-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55685-58-0.gif)
