CAS RN: 58493-47-3
N-VANILLYLOCTANAMIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250207 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS58493-47-3
- Purity/Analytical Methods: >99.0%
58493-47-3 / 4-hydroxy-3-methoxy-N-octylbenzamide
Basic Information
CAS
58493-47-3
Multi CAS
Yes
Molecular Formula
C16H25NO3
Molecular Weight
279.370000
Exact Mass
279.183444
InChI
InChI=1S/C16H25NO3/c1-3-4-5-6-7-8-16(19)17-12-13-9-10-14(18)15(11-13)20-2/h9-11,18H,3-8,12H2,1-2H3,(H,17,19)
InChIKey
JYZDUDMWJFJCON-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
80.37
TPSA
58.56
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
4.1
Consensus LogP
3.56
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.95
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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