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CAS 1157938-97-0 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone molecular structure lightbox
CAS RN: 1157938-97-0

1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone

Product Availability

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5 package records4 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250825 1g In stock Inquiry
Batchno.20260105 250mg In stock Inquiry
Batchno.20250412 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250505 1g / 5g / 25g Confirm by inquiry Shanghai, Shandong 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250627 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-015527
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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 1157938-97-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1157938-97-0 / 1-(2,5-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone | MFCD12061657 | 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one

Standard CAS: 1157938-97-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1157938-97-0
Multi CAS
Yes
Molecular Formula
C10H7F2N3O
Molecular Weight
223.180000
Exact Mass
223.055718
SMILES
C1=CC(=C(C=C1F)C(=O)CN2C=NC=N2)F
InChI
InChI=1S/C10H7F2N3O/c11-7-1-2-9(12)8(3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChIKey
TYSGXZUZAJOVML-UHFFFAOYSA-N
Synonyms
1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethanone MFCD12061657 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one Ethanone, 1-(2,5-difluorophenyl)-2-(1H-1,2,4-triazol-1-yl)- 1-(2,5-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.71
TPSA
47.78

LogP / Solubility

WLOGP
1.44
MLOGP
1.27
XLogP3
1.7
Consensus LogP
1.47
Log S (ESOL)
-2.44
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.43
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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