CAS RN: 59708-73-5
19-METHYLEICOSANOIC ACID
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.20250227 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS59708-73-5
- Purity/Analytical Methods: >99.0%
59708-73-5 / 19-methylicosanoic acid
Basic Information
CAS
59708-73-5
Multi CAS
No
Molecular Formula
C21H42O2
Molecular Weight
326.600000
Exact Mass
326.318481
InChI
InChI=1S/C21H42O2/c1-20(2)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChIKey
BDGYZTCVQAZQFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.95
Rotatable bonds
18
H-bond acceptors
1
H-bond donors
1
Molar refractivity
100.96
TPSA
37.3
LogP / Solubility
WLOGP
7.36
MLOGP
6.49
XLogP3
8.8
Consensus LogP
7.55
Log S (ESOL)
-5.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.55
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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