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CAS 183718-77-6 AM 404 molecular structure lightbox
CAS RN: 183718-77-6

AM 404

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4 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250113 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Hebei Inquiry
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  • Product code: starshine_CAS183718-77-6
  • Purity/Analytical Methods: >99.0%
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183718-77-6 / (5Z,8Z,11Z,14Z)-N-(4-hydroxyphenyl)icosa-5,8,11,14-tetraenamide

Standard CAS: 183718-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
183718-77-6
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=C(C=C1)O
InChI
InChI=1S/C26H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(28)23-21-24/h6-7,9-10,12-13,15-16,20-23,28H,2-5,8,11,14,17-19H2,1H3,(H,27,29)/b7-6-,10-9-,13-12-,16-15-
InChIKey
IJBZOOZRAXHERC-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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