CAS RN: 72864-23-4
METHYL 3-HYDROXYDODECANOATE
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.20260330 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS72864-23-4
- Purity/Analytical Methods: >99.0%
72864-23-4 / methyl 3-hydroxydodecanoate
Basic Information
CAS
72864-23-4
Multi CAS
Yes
Molecular Formula
C13H26O3
Molecular Weight
230.340000
Exact Mass
230.188195
InChI
InChI=1S/C13H26O3/c1-3-4-5-6-7-8-9-10-12(14)11-13(15)16-2/h12,14H,3-11H2,1-2H3
InChIKey
OZXCINYANGIBDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
65.25
TPSA
46.53
LogP / Solubility
WLOGP
3.05
MLOGP
2.69
XLogP3
3.9
Consensus LogP
3.21
Log S (ESOL)
-2.53
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly 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)
-1.96
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
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