CAS RN: 183718-75-4
N-(3-hydroxyphenyl)-Arachidonoyl amide
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260126 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS183718-75-4
- Purity/Analytical Methods: >99.0%
183718-75-4 / (5Z,8Z,11Z,14Z)-N-(3-hydroxyphenyl)icosa-5,8,11,14-tetraenamide
Basic Information
CAS
183718-75-4
Multi CAS
No
Molecular Formula
C26H37NO2
Molecular Weight
395.600000
Exact Mass
395.282429
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC1=CC(=CC=C1)O
InChI
InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-26(29)27-24-20-19-21-25(28)23-24/h6-7,9-10,12-13,15-16,19-21,23,28H,2-5,8,11,14,17-18,22H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
InChIKey
ZWSMMQKRRVRXBA-DOFZRALJSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
15
H-bond acceptors
2
H-bond donors
2
Molar refractivity
125.14
TPSA
49.33
LogP / Solubility
WLOGP
7.48
MLOGP
6.6
XLogP3
7.2
Consensus LogP
7.09
Log S (ESOL)
-6.17
Class (ESOL)
Insoluble
Log S (Ali)
-8.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.24
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)
0.18
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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