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CAS 183718-70-9 ARACHIDONOYL SERINOL molecular structure lightbox
CAS RN: 183718-70-9

ARACHIDONOYL SERINOL

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Batchno.20251111 10mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS183718-70-9
  • Purity/Analytical Methods: >99.0%
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183718-70-9 / (5Z,8Z,11Z,14Z)-N-(1,3-dihydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide

Standard CAS: 183718-70-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
183718-70-9
Multi CAS
No
Molecular Formula
C23H39NO3
Molecular Weight
377.600000
Exact Mass
377.292994
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC(CO)CO
InChI
InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)24-22(20-25)21-26/h6-7,9-10,12-13,15-16,22,25-26H,2-5,8,11,14,17-21H2,1H3,(H,24,27)/b7-6-,10-9-,13-12-,16-15-
InChIKey
QHELXIATGZYOIB-DOFZRALJSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
27
Fraction Csp3
0.61
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
3
Molar refractivity
114.51
TPSA
69.56

LogP / Solubility

WLOGP
4.6
MLOGP
4.07
XLogP3
4.7
Consensus LogP
4.46
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-7.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.76

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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