CAS RN: 60374-41-6
N-Oleoyl Valine
Product Availability
Choose a grade to view its available package options.
4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260322 | 1mg / 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS60374-41-6
- Purity/Analytical Methods: >99.0%
60374-41-6 / 3-methyl-2-(octadec-9-enoylamino)butanoic acid
Basic Information
CAS
60374-41-6
Multi CAS
Yes
Molecular Formula
C23H43NO3
Molecular Weight
381.600000
Exact Mass
381.324294
InChI
InChI=1S/C23H43NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(25)24-22(20(2)3)23(26)27/h11-12,20,22H,4-10,13-19H2,1-3H3,(H,24,25)(H,26,27)
InChIKey
LRQPUGFHAACUMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Fraction Csp3
0.83
Rotatable bonds
18
H-bond acceptors
2
H-bond donors
2
Molar refractivity
113.86
TPSA
66.4
LogP / Solubility
WLOGP
6.25
MLOGP
5.52
XLogP3
8
Consensus LogP
6.59
Log S (ESOL)
-4.95
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.49
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.61
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
3
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BENTAZONE-8-HYDROXY
- CAS RN: 60374-43-8
- Product Code: starshine_CAS60374-43-8
- Purity/Analytical method: >99.0%
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