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CAS 1196155-86-8 Furo[2,3-b]pyridin-3(2H)-one, 6-(trifluoromethyl)- molecular structure lightbox
CAS RN: 1196155-86-8

Furo[2,3-b]pyridin-3(2H)-one, 6-(trifluoromethyl)-

  • Product code: SSC-020264
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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 1196155-86-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

1196155-86-8 / 6-(trifluoromethyl)furo[2,3-b]pyridin-3-one

6-(trifluoromethyl)furo[2,3-b]pyridin-3-one | 6-TRIFLUOROMETHYL-FURO[2,3-B]PYRIDIN-3-ONE | MFCD13190282

Standard CAS: 1196155-86-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1196155-86-8
Multi CAS
Yes
Molecular Formula
C8H4F3NO2
Molecular Weight
203.120000
Exact Mass
203.019413
SMILES
C1C(=O)C2=C(O1)N=C(C=C2)C(F)(F)F
InChI
InChI=1S/C8H4F3NO2/c9-8(10,11)6-2-1-4-5(13)3-14-7(4)12-6/h1-2H,3H2
InChIKey
IIHNLSZJYWGRFE-UHFFFAOYSA-N
Synonyms
6-(trifluoromethyl)furo[2,3-b]pyridin-3-one 6-TRIFLUOROMETHYL-FURO[2,3-B]PYRIDIN-3-ONE MFCD13190282 6-(TRIFLUOROMETHYL)FURO[2,3-B]PYRIDIN-3(2H)-ONE SCHEMBL21223287

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
Molar refractivity
39.06
TPSA
39.19

LogP / Solubility

WLOGP
1.68
MLOGP
1.47
XLogP3
1.7
Consensus LogP
1.62
Log S (ESOL)
-2.47
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.44
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.37
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)
-2.77

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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