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CAS 386704-15-0 METHYL6-(TRIFLUOROMETHYL)NICOTINOYLACETATE molecular structure lightbox
CAS RN: 386704-15-0

METHYL6-(TRIFLUOROMETHYL)NICOTINOYLACETATE

Product Availability

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 10g In stock Shanghai Inquiry
Batchno.20250821 1g In stock Shanghai Inquiry
Batchno.20250407 250mg Out of stock 8-10 business days Inquiry
Batchno.20260105 250mg In stock Shanghai, Tianjin Inquiry
Batchno.20250619 5g In stock Shanghai Inquiry
  • Product code: SSC-146282
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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 386704-15-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

386704-15-0 / methyl 3-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]propanoate

Standard CAS: 386704-15-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
386704-15-0
Multi CAS
Yes
Molecular Formula
C10F3H8NO3
Molecular Weight
247.170000
Exact Mass
247.045628
InChI
InChI=1S/C10H8F3NO3/c1-17-9(16)4-7(15)6-2-3-8(14-5-6)10(11,12)13/h2-3,5H,4H2,1H3
InChIKey
YXRIRKKHNGRGRZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
50.2
TPSA
56.26

LogP / Solubility

WLOGP
1.85
MLOGP
1.63
XLogP3
1.5
Consensus LogP
1.66
Log S (ESOL)
-2.6
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.92
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.16
Class (SILICOS-IT)
Poorly 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)
-2.92

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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