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CAS 2805-84-7 3-(Trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole molecular structure lightbox
CAS RN: 2805-84-7

3-(Trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251117 100mg / 250mg / 1g / 5g Confirm by inquiry Shanghai, Shandong 5-7 business days Inquiry
  • Product code: SSC-128693
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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 2805-84-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Hong Kong Inquiry

2805-84-7 / 6-(trifluoromethyl)-2,3,4,9-tetrahydro-1H-carbazole

Standard CAS: 2805-84-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2805-84-7
Multi CAS
No
Molecular Formula
C13F3H12N
Molecular Weight
239.240000
Exact Mass
239.092184
InChI
InChI=1S/C13H12F3N/c14-13(15,16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)17-12/h5-7,17H,1-4H2
InChIKey
HINYVRIEKBPDTJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
9
Fraction Csp3
0.38
H-bond acceptors
3
H-bond donors
1
Molar refractivity
59.94
TPSA
15.79

LogP / Solubility

WLOGP
4.07
MLOGP
3.58
XLogP3
4.2
Consensus LogP
3.95
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.29

Drug-likeness / Medicinal Chemistry

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

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