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CAS 376367-93-0 Firpic molecular structure lightbox
CAS RN: 376367-93-0

Firpic

  • Product code: SSC-145056
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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: ＞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 376367-93-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Shenzhen Inquiry

376367-93-0 / bis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine);iridium(3+);pyridine-2-carboxylate

Standard CAS: 376367-93-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
376367-93-0
Multi CAS
Yes
Molecular Formula
C28F4H16IO2Rn3
Molecular Weight
694.700000
Exact Mass
695.080790
InChI
InChI=1S/2C11H6F2N.C6H5NO2.Ir/c2*12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;8-6(9)5-3-1-2-4-7-5;/h2*1-4,6-7H;1-4H,(H,8,9);/q2*-1;;
InChIKey
ZNXYMQNTSZXWLG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Aromatic heavy atom count
30
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
125.42
TPSA
78.8

LogP / Solubility

WLOGP
5.1
MLOGP
4.54
XLogP3
5.1
Consensus LogP
4.91
Log S (ESOL)
-7.74
Class (ESOL)
Insoluble
Log S (Ali)
-8.94
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.34

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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