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CAS 1072944-69-4 METHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE molecular structure lightbox
CAS RN: 1072944-69-4

METHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251028 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-008767
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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: ＞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 1072944-69-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1072944-69-4 / methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate

METHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE | MFCD11504916 | methyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate

Standard CAS: 1072944-69-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1072944-69-4
Multi CAS
Yes
Molecular Formula
C12H8F3NO3
Molecular Weight
271.190000
Exact Mass
271.045628
SMILES
COC(=O)C1=CC(=O)C2=C(N1)C=C(C=C2)C(F)(F)F
InChI
InChI=1S/C12H8F3NO3/c1-19-11(18)9-5-10(17)7-3-2-6(12(13,14)15)4-8(7)16-9/h2-5H,1H3,(H,16,17)
InChIKey
HXMSYFTWUSYAPH-UHFFFAOYSA-N
Synonyms
METHYL 4-HYDROXY-7-(TRIFLUOROMETHYL)QUINOLINE-2-CARBOXYLATE MFCD11504916 methyl 4-oxo-7-(trifluoromethyl)-1,4-dihydroquinoline-2-carboxylate methyl 4-oxo-7-(trifluoromethyl)-1H-quinoline-2-carboxylate SCHEMBL431854

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.91
TPSA
59.16

LogP / Solubility

WLOGP
2.33
MLOGP
2.06
XLogP3
2.5
Consensus LogP
2.3
Log S (ESOL)
-3.31
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.48
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)
-2.72

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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