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CAS 1092400-82-2 3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid molecular structure lightbox
CAS RN: 1092400-82-2

3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoicacid

Product Availability

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6 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250326 1g In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250807 100mg In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20250210 1g In stock Shanghai Inquiry
Batchno.20260211 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260530 25g In stock Shanghai Inquiry
Batchno.20250624 5g In stock Shanghai Inquiry
  • Product code: SSC-010431
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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 1092400-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1092400-82-2 / 3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid

3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid | 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid | DTXSID00648966

Standard CAS: 1092400-82-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1092400-82-2
Multi CAS
No
Molecular Formula
C10H5F3N2O3
Molecular Weight
258.150000
Exact Mass
258.025227
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=NOC(=N2)C(F)(F)F
InChI
InChI=1S/C10H5F3N2O3/c11-10(12,13)9-14-7(15-18-9)5-2-1-3-6(4-5)8(16)17/h1-4H,(H,16,17)
InChIKey
ZTOAUVQUTVRHBJ-UHFFFAOYSA-N
Synonyms
3-(5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl)benzoic acid 3-[5-(Trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoic acid DTXSID00648966 RefChem:274914 DTXCID90599716

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
11
Fraction Csp3
0.1
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
51.7
TPSA
76.22

LogP / Solubility

WLOGP
2.45
MLOGP
2.17
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.55

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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