CAS RN: 68573-24-0

N-(p-Coumaroyl) Serotonin

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10 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260606 1mg In stock Inquiry
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Batchno.20250324 100mg In stock Shanghai Inquiry
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Batchno.20260503 250mg In stock Shanghai Inquiry
Batchno.20250921 25mg In stock Shanghai Inquiry
Batchno.20251120 50mg Out of stock 8-10 business days Inquiry
Batchno.20260404 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS68573-24-0
  • Purity/Analytical Methods: >99.0%
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68573-24-0 / N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-3-(4-hydroxyphenyl)prop-2-enamide

Standard CAS: 68573-24-0 Multi CAS: Yes

Basic Information

CAS
68573-24-0
Multi CAS
Yes
Molecular Formula
C19H18N2O3
Molecular Weight
322.400000
Exact Mass
322.131742
InChI
InChI=1S/C19H18N2O3/c22-15-4-1-13(2-5-15)3-8-19(24)20-10-9-14-12-21-18-7-6-16(23)11-17(14)18/h1-8,11-12,21-23H,9-10H2,(H,20,24)/b8-3+
InChIKey
WLZPAFGVOWCVMG-FPYGCLRLSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
4
Molar refractivity
93.82
TPSA
85.35

LogP / Solubility

WLOGP
2.95
MLOGP
2.61
XLogP3
2.2
Consensus LogP
2.59
Log S (ESOL)
-3.83
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.33
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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