CAS RN: 5487-50-3
13-METHYLPENTADECANOIC ACID*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.20250928 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS5487-50-3
- Purity/Analytical Methods: >99.0%
5487-50-3 / methyl 13-methylpentadecanoate
Basic Information
CAS
5487-50-3
Multi CAS
No
Molecular Formula
C17H34O2
Molecular Weight
270.500000
Exact Mass
270.255880
InChI
InChI=1S/C17H34O2/c1-4-16(2)14-12-10-8-6-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
InChIKey
FRGDXZRZDAJTOU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.94
Rotatable bonds
13
H-bond acceptors
2
Molar refractivity
82.26
TPSA
26.3
LogP / Solubility
WLOGP
5.5
MLOGP
4.85
XLogP3
7.2
Consensus LogP
5.85
Log S (ESOL)
-4.12
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.54
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)
-0.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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