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CAS 2557-70-2 2-(TRIFLUOROACETYL)PYRROLE molecular structure lightbox
CAS RN: 2557-70-2

2-(TRIFLUOROACETYL)PYRROLE

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 10g In stock Shanghai, Tianjin Inquiry
Batchno.20250602 1g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250307 1g Out of stock 8-10 business days Inquiry
Batchno.20250202 25g In stock Shanghai Inquiry
Batchno.20250115 5g In stock Shanghai, Chengdu Inquiry
Batchno.20250614 5g In stock Shanghai Inquiry
  • Product code: SSC-121653
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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: 5g
  • Available purity: ＞97%
  • 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 2557-70-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

2557-70-2 / 2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanone

Standard CAS: 2557-70-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2557-70-2
Multi CAS
No
Molecular Formula
C6H4F3NO
Molecular Weight
163.100000
Exact Mass
163.024498
SMILES
C1=CNC(=C1)C(=O)C(F)(F)F
InChI
InChI=1S/C6H4F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h1-3,10H
InChIKey
UMVVPYXSJKIFST-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
31.18
TPSA
32.86

LogP / Solubility

WLOGP
1.76
MLOGP
1.54
XLogP3
2
Consensus LogP
1.77
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.17
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.3
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.47

Drug-likeness / Medicinal Chemistry

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

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