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CAS 1080640-91-0 8-TrifluoroMethyl-quinolin-6-ylaMine molecular structure lightbox
CAS RN: 1080640-91-0

8-TrifluoroMethyl-quinolin-6-ylaMine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260417 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-009350
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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 1080640-91-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1080640-91-0 / 8-(trifluoromethyl)quinolin-6-amine

8-(Trifluoromethyl)quinolin-6-amine | MFCD11052592 | SCHEMBL2942804

Standard CAS: 1080640-91-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1080640-91-0
Multi CAS
No
Molecular Formula
C10H7F3N2
Molecular Weight
212.170000
Exact Mass
212.056133
SMILES
C1=CC2=CC(=CC(=C2N=C1)C(F)(F)F)N
InChI
InChI=1S/C10H7F3N2/c11-10(12,13)8-5-7(14)4-6-2-1-3-15-9(6)8/h1-5H,14H2
InChIKey
OWGZHUXKLHEFJN-UHFFFAOYSA-N
Synonyms
8-(Trifluoromethyl)quinolin-6-amine MFCD11052592 SCHEMBL2942804 DTXSID00738371 OWGZHUXKLHEFJN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.16
TPSA
38.91

LogP / Solubility

WLOGP
2.84
MLOGP
2.5
XLogP3
1.8
Consensus LogP
2.38
Log S (ESOL)
-3.44
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.35
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
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

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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