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CAS 1211519-38-8 6-methoxy-5-(trifluoromethyl)nicotinaldehyde molecular structure lightbox
CAS RN: 1211519-38-8

6-methoxy-5-(trifluoromethyl)nicotinaldehyde

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250125 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-022563
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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: 0.25g
  • 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 1211519-38-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1211519-38-8 / 6-methoxy-5-(trifluoromethyl)pyridine-3-carbaldehyde

6-METHOXY-5-(TRIFLUOROMETHYL)NICOTINALDEHYDE | MFCD18254532 | 6-METHOXY-5-(TRIFLUOROMETHYL)PYRIDINE-3-CARBALDEHYDE

Standard CAS: 1211519-38-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1211519-38-8
Multi CAS
No
Molecular Formula
C8H6F3NO2
Molecular Weight
205.130000
Exact Mass
205.035063
SMILES
COC1=C(C=C(C=N1)C=O)C(F)(F)F
InChI
InChI=1S/C8H6F3NO2/c1-14-7-6(8(9,10)11)2-5(4-13)3-12-7/h2-4H,1H3
InChIKey
VOYXMTVTDCEXRC-UHFFFAOYSA-N
Synonyms
6-METHOXY-5-(TRIFLUOROMETHYL)NICOTINALDEHYDE MFCD18254532 6-METHOXY-5-(TRIFLUOROMETHYL)PYRIDINE-3-CARBALDEHYDE SCHEMBL30776172 VOYXMTVTDCEXRC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
41.18
TPSA
39.19

LogP / Solubility

WLOGP
1.92
MLOGP
1.69
XLogP3
1.5
Consensus LogP
1.7
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.83
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)
-2.61

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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