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CAS 1714146-59-4 I-BRD9 molecular structure lightbox
CAS RN: 1714146-59-4

I-BRD9

Product Availability

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9 package records8 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260120 100mg In stock Shanghai Inquiry
Batchno.20250129 10mg In stock Shanghai Inquiry
Batchno.20251011 1g In stock Shanghai Inquiry
Batchno.20260423 1mg In stock Shanghai Inquiry
Batchno.20250711 250mg In stock Shanghai Inquiry
Batchno.20260519 25mg In stock Shanghai Inquiry
Batchno.20260108 50mg In stock Shanghai Inquiry
Batchno.20260628 5mg In stock Shanghai Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 5mg / 25mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-075514
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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: 0.025g
  • 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 1714146-59-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.025g ≥95% 0 Out of Stock Shanghai Inquiry

1714146-59-4 / N'-(1,1-dioxothian-4-yl)-5-ethyl-4-oxo-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide

Standard CAS: 1714146-59-4 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1714146-59-4
Multi CAS
No
Molecular Formula
C22H22F3N3O3S2
Molecular Weight
497.600000
Exact Mass
497.105468
SMILES
CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F
InChI
InChI=1S/C22H22F3N3O3S2/c1-2-28-12-17(13-4-3-5-14(10-13)22(23,24)25)19-16(21(28)29)11-18(32-19)20(26)27-15-6-8-33(30,31)9-7-15/h3-5,10-12,15H,2,6-9H2,1H3,(H2,26,27)
InChIKey
WRUWGLUCNBMGPS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
15
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
1
Molar refractivity
124.6
TPSA
94.52

LogP / Solubility

WLOGP
4.05
MLOGP
3.6
XLogP3
2.9
Consensus LogP
3.52
Log S (ESOL)
-5.55
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.56
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.88

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
3

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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