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CAS 871837-60-4 DRAK2-IN-16 molecular structure lightbox
CAS RN: 871837-60-4

DRAK2-IN-16

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250124 10mg Out of stock 30 business days Inquiry
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Batchno.20250929 100mg In stock Shanghai Inquiry
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Batchno.20250312 25mg In stock Shanghai Inquiry
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  • Product code: starshine_CAS871837-60-4
  • Purity/Analytical Methods: >99.0%
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871837-60-4 / N-[2-hydroxy-3-(3-nitroso-1H-indol-2-yl)-1H-indol-5-yl]pentanamide

Standard CAS: 871837-60-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
871837-60-4
Multi CAS
No
Molecular Formula
C21H20N4O3
Molecular Weight
376.400000
Exact Mass
376.153541
InChI
InChI=1S/C21H20N4O3/c1-2-3-8-17(26)22-12-9-10-16-14(11-12)18(21(27)24-16)20-19(25-28)13-6-4-5-7-15(13)23-20/h4-7,9-11,23-24,27H,2-3,8H2,1H3,(H,22,26)
InChIKey
ZFZLSKZDOULLMO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
18
Fraction Csp3
0.19
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
4
Molar refractivity
110.87
TPSA
110.34

LogP / Solubility

WLOGP
5.55
MLOGP
4.9
XLogP3
3.7
Consensus LogP
4.72
Log S (ESOL)
-5.75
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.65
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.43
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-1.08

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

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