CAS RN: 51883-36-4
3-HYDROXYHEXADECANOIC ACID METHYL ESTER
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250107 | 25mg / 100mg / 250mg / 500mg | Confirm by inquiry | Shanghai | 8-10 business days | Inquiry |
- Product code: starshine_CAS51883-36-4
- Purity/Analytical Methods: >99.0%
51883-36-4 / methyl 3-hydroxyhexadecanoate
Basic Information
CAS
51883-36-4
Multi CAS
Yes
Molecular Formula
C17H34O3
Molecular Weight
286.400000
Exact Mass
286.250795
InChI
InChI=1S/C17H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)15-17(19)20-2/h16,18H,3-15H2,1-2H3
InChIKey
YBTWUESFQWFDMR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.94
Rotatable bonds
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
83.72
TPSA
46.53
LogP / Solubility
WLOGP
4.61
MLOGP
4.07
XLogP3
6.1
Consensus LogP
4.93
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.03
Class (SILICOS-IT)
Insoluble
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)
-1.19
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
