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CAS 204205-90-3 2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide molecular structure lightbox
CAS RN: 204205-90-3

2-(1-(4-Chlorophenylmethyl)-1H-indol-3-yl)-2-oxo-N-(pyridin-4-yl)acetamide

Product Availability

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8 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260505 100mg In stock Shanghai Inquiry
Batchno.20251221 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20250623 10mg In stock Shanghai Inquiry
Batchno.20251212 1g In stock Shanghai Inquiry
Batchno.20250611 1mg In stock Shanghai Inquiry
Batchno.20251121 250mg In stock Shanghai Inquiry
Batchno.20260211 25mg In stock Shanghai Inquiry
Batchno.20250304 5mg In stock Shanghai Inquiry
  • Product code: SSC-096059
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 204205-90-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

204205-90-3 / 2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxo-N-pyridin-4-ylacetamide

Standard CAS: 204205-90-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204205-90-3
Multi CAS
No
Molecular Formula
C22H16ClN3O2
Molecular Weight
389.800000
Exact Mass
389.093105
SMILES
C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4
InChI
InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)
InChIKey
SOLIIYNRSAWTSQ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
21
Fraction Csp3
0.05
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
109.69
TPSA
63.99

LogP / Solubility

WLOGP
4.56
MLOGP
4.04
XLogP3
3.9
Consensus LogP
4.17
Log S (ESOL)
-5.35
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.05
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
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)
-1.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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