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CAS 23928-47-4 1,4-dichloro-5-fluorophthalazine molecular structure lightbox
CAS RN: 23928-47-4

1,4-dichloro-5-fluorophthalazine

  • Product code: SSC-116854
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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: 5g
  • 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 23928-47-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

23928-47-4 / 1,4-dichloro-5-fluorophthalazine

Standard CAS: 23928-47-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23928-47-4
Multi CAS
No
Molecular Formula
C8H3Cl2FN2
Molecular Weight
217.020000
Exact Mass
215.965732
SMILES
C1=CC2=C(C(=C1)F)C(=NN=C2Cl)Cl
InChI
InChI=1S/C8H3Cl2FN2/c9-7-4-2-1-3-5(11)6(4)8(10)13-12-7/h1-3H
InChIKey
DHGXMZANOVUXAV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
49.52
TPSA
25.78

LogP / Solubility

WLOGP
3.08
MLOGP
2.71
XLogP3
3.1
Consensus LogP
2.96
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.56
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.62
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)
-1.86

Drug-likeness / Medicinal Chemistry

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

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