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CAS 121806-48-2 N-(2,3-Dichlorophenyl)-2,2,2-trifluoroacetaMide molecular structure lightbox
CAS RN: 121806-48-2

N-(2,3-Dichlorophenyl)-2,2,2-trifluoroacetaMide

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260602 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-024591
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 121806-48-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 5 In Stock Shanghai Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry

121806-48-2 / N-(2,3-dichlorophenyl)-2,2,2-trifluoroacetamide

Standard CAS: 121806-48-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
121806-48-2
Multi CAS
No
Molecular Formula
C8H4Cl2F3NO
Molecular Weight
258.020000
Exact Mass
256.962204
SMILES
C1=CC(=C(C(=C1)Cl)Cl)NC(=O)C(F)(F)F
InChI
InChI=1S/C8H4Cl2F3NO/c9-4-2-1-3-5(6(4)10)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKey
DLTWYCMFNGRBEM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
51.15
TPSA
29.1

LogP / Solubility

WLOGP
3.49
MLOGP
3.08
XLogP3
3.2
Consensus LogP
3.26
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.2
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.36
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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