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CAS 13580-86-4 4-CHLORO-PHTHALAZIN-1-YLAMINE molecular structure lightbox
CAS RN: 13580-86-4

4-CHLORO-PHTHALAZIN-1-YLAMINE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250429 100mg / 250mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-044427
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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: 1g
  • 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 13580-86-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

13580-86-4 / 4-chlorophthalazin-1-amine

Standard CAS: 13580-86-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
13580-86-4
Multi CAS
No
Molecular Formula
C8H6ClN3
Molecular Weight
179.600000
Exact Mass
179.025025
SMILES
C1=CC=C2C(=C1)C(=NN=C2Cl)N
InChI
InChI=1S/C8H6ClN3/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H,(H2,10,12)
InChIKey
IJYLJLPFNAQRLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
10
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.96
TPSA
51.8

LogP / Solubility

WLOGP
1.87
MLOGP
1.64
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.75
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
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)
-2.49

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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