CAS RN: 59080-49-8
Octanoic acid, 8-amino-, methyl 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.20260326 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS59080-49-8
- Purity/Analytical Methods: >99.0%
59080-49-8 / methyl 8-aminooctanoate
Basic Information
CAS
59080-49-8
Multi CAS
No
Molecular Formula
C9H19NO2
Molecular Weight
173.250000
Exact Mass
173.141579
InChI
InChI=1S/C9H19NO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8,10H2,1H3
InChIKey
ZYKOKVARXPKXFW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Fraction Csp3
0.89
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.77
TPSA
52.32
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
Consensus LogP
0.91
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-2.03
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
(5,6-Dimethoxypyridin-2-yl)methanol
- CAS RN: 59081-38-8
- Product Code: starshine_CAS59081-38-8
- Purity/Analytical method: >99.0%
-
-
-
-
