[email protected]
CAS 2247605-87-2 Dichloro[8-(diisopropylphosphino)-5-fluoro-2-(2-pyridinyl)quinoline]iron(II) molecular structure lightbox
CAS RN: 2247605-87-2

Dichloro[8-(diisopropylphosphino)-5-fluoro-2-(2-pyridinyl)quinoline]iron(II)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251124 10mg Out of stock 15 business days Inquiry
  • Product code: SSC-109865
GET A QUOTE
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: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 2247605-87-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

2247605-87-2 / dichloroiron;(5-fluoro-2-pyridin-2-ylquinolin-8-yl)-di(propan-2-yl)phosphane

Standard CAS: 2247605-87-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2247605-87-2
Multi CAS
No
Molecular Formula
C20H22Cl2FFeN2P
Molecular Weight
467.100000
Exact Mass
466.023105
SMILES
CC(C)P(C1=C2C(=C(C=C1)F)C=CC(=N2)C3=CC=CC=N3)C(C)C.Cl[Fe]Cl
InChI
InChI=1S/C20H22FN2P.2ClH.Fe/c1-13(2)24(14(3)4)19-11-9-16(21)15-8-10-18(23-20(15)19)17-7-5-6-12-22-17;;;/h5-14H,1-4H3;2*1H;/q;;;+2/p-2
InChIKey
QFAZXPAOJPDBEG-UHFFFAOYSA-L

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
16
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
113.46
TPSA
25.78

LogP / Solubility

WLOGP
6.74
MLOGP
5.96
XLogP3
6.74
Consensus LogP
6.48
Log S (ESOL)
-7.15
Class (ESOL)
Insoluble
Log S (Ali)
-8.25
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.77
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

Customers Also Viewed

Get In Touch

Contact Us