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CAS 249736-95-6 6,7-diMethoxy-4-(trifluoroMethyl)quinolin-2(1H)-one molecular structure lightbox
CAS RN: 249736-95-6

6,7-diMethoxy-4-(trifluoroMethyl)quinolin-2(1H)-one

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250807 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-120331
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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 249736-95-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

249736-95-6 / 6,7-dimethoxy-4-(trifluoromethyl)-1H-quinolin-2-one

Standard CAS: 249736-95-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
249736-95-6
Multi CAS
No
Molecular Formula
C12H10F3NO3
Molecular Weight
273.210000
Exact Mass
273.061278
SMILES
COC1=C(C=C2C(=C1)C(=CC(=O)N2)C(F)(F)F)OC
InChI
InChI=1S/C12H10F3NO3/c1-18-9-3-6-7(12(13,14)15)4-11(17)16-8(6)5-10(9)19-2/h3-5H,1-2H3,(H,16,17)
InChIKey
FDHBZTIGKGJGPF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.67
TPSA
51.32

LogP / Solubility

WLOGP
2.56
MLOGP
2.27
XLogP3
1.7
Consensus LogP
2.18
Log S (ESOL)
-3.41
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.8
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)
-2.57

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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