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CAS 355022-97-8 5-Nitro-α-oxo-N-(1R)-phenylethyl]-1H-indole-3-acetamide molecular structure lightbox
CAS RN: 355022-97-8

5-Nitro-α-oxo-N-(1R)-phenylethyl]-1H-indole-3-acetamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250304 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS355022-97-8
  • Purity/Analytical Methods: >99.0%
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355022-97-8 / 2-(5-nitro-1H-indol-3-yl)-2-oxo-N-[(1R)-1-phenylethyl]acetamide

Standard CAS: 355022-97-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
355022-97-8
Multi CAS
Yes
Molecular Formula
C18H15N3O4
Molecular Weight
337.300000
Exact Mass
337.106256
InChI
InChI=1S/C18H15N3O4/c1-11(12-5-3-2-4-6-12)20-18(23)17(22)15-10-19-16-8-7-13(21(24)25)9-14(15)16/h2-11,19H,1H3,(H,20,23)/t11-/m1/s1
InChIKey
VCKKJKQZHHPPDR-LLVKDONJSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
92.28
TPSA
105.1

LogP / Solubility

WLOGP
3.14
MLOGP
2.78
XLogP3
2.9
Consensus LogP
2.94
Log S (ESOL)
-4.02
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.59
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.06
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)
-2.55

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
3

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