CAS RN: 745733-78-2
N-Oleoyl Alanine
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.20250211 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS745733-78-2
- Purity/Analytical Methods: >99.0%
745733-78-2 / (2S)-2-[[(Z)-octadec-9-enoyl]amino]propanoic acid
Basic Information
CAS
745733-78-2
Multi CAS
Yes
Molecular Formula
C21H39NO3
Molecular Weight
353.500000
Exact Mass
353.292994
InChI
InChI=1S/C21H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25/h10-11,19H,3-9,12-18H2,1-2H3,(H,22,23)(H,24,25)/b11-10-/t19-/m0/s1
InChIKey
CHQZBIVWDKADIA-GDWUOILNSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Fraction Csp3
0.81
Rotatable bonds
17
H-bond acceptors
2
H-bond donors
2
Molar refractivity
104.69
TPSA
66.4
LogP / Solubility
WLOGP
5.61
MLOGP
4.96
XLogP3
7
Consensus LogP
5.86
Log S (ESOL)
-4.45
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.66
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)
-0.89
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
3
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