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CAS 851636-83-4 CYSMETHYNIL molecular structure lightbox
CAS RN: 851636-83-4

CYSMETHYNIL

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5 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251123 100mg Out of stock Inquiry
Batchno.20250606 10mg In stock Shanghai Inquiry
Batchno.20251121 250mg Out of stock Inquiry
Batchno.20251015 25mg In stock Shanghai Inquiry
Batchno.20250406 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS851636-83-4
  • Purity/Analytical Methods: >99.0%
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851636-83-4 / 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide

Standard CAS: 851636-83-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
851636-83-4
Multi CAS
No
Molecular Formula
C25H32N2O
Molecular Weight
376.500000
Exact Mass
376.251464
InChI
InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
InChIKey
QIXBOOVPFRZHQQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
15
Fraction Csp3
0.4
Rotatable bonds
10
H-bond acceptors
2
H-bond donors
1
Molar refractivity
118.39
TPSA
48.02

LogP / Solubility

WLOGP
6.01
MLOGP
5.31
XLogP3
6.2
Consensus LogP
5.84
Log S (ESOL)
-5.69
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.29
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.75

Drug-likeness / Medicinal Chemistry

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

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