CAS RN: 83968-06-3
METHYL 3-HYDROXYNONANOATE
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.20260302 | 100mg / 250mg / 1g | Out of stock | 3-5 business days | Inquiry |
- Product code: starshine_CAS83968-06-3
- Purity/Analytical Methods: >99.0%
83968-06-3 / methyl 3-hydroxynonanoate
Basic Information
CAS
83968-06-3
Multi CAS
No
Molecular Formula
C10H20O3
Molecular Weight
188.260000
Exact Mass
188.141245
InChI
InChI=1S/C10H20O3/c1-3-4-5-6-7-9(11)8-10(12)13-2/h9,11H,3-8H2,1-2H3
InChIKey
KHCQOQFCKCGHHU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.9
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.4
TPSA
46.53
LogP / Solubility
WLOGP
1.88
MLOGP
1.65
XLogP3
2.3
Consensus LogP
1.94
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-2.46
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
Class (SILICOS-IT)
Poorly 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)
-2.53
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
2
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