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CAS 23928-56-5 1-Chloro-7-fluorophthalazine molecular structure lightbox
CAS RN: 23928-56-5

1-Chloro-7-fluorophthalazine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250930 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS23928-56-5
  • Purity/Analytical Methods: >99.0%
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23928-56-5 / 1-chloro-7-fluorophthalazine

Standard CAS: 23928-56-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23928-56-5
Multi CAS
No
Molecular Formula
C8H4ClFN2
Molecular Weight
182.580000
Exact Mass
182.004704
SMILES
C1=CC2=CN=NC(=C2C=C1F)Cl
InChI
InChI=1S/C8H4ClFN2/c9-8-7-3-6(10)2-1-5(7)4-11-12-8/h1-4H
InChIKey
DIPMGKNFAKSMBA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
2
Molar refractivity
44.51
TPSA
25.78

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.2
Consensus LogP
2.25
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.81
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11

Drug-likeness / Medicinal Chemistry

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

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