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CAS 28657-39-8 3-chloro-4-methyl-6-phenylpyridazine molecular structure lightbox
CAS RN: 28657-39-8

3-chloro-4-methyl-6-phenylpyridazine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250405 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-130177
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 0.1g, 0.25g, 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 1
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28657-39-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 1 In Stock Shanghai Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry
0.25g ≥95% 0 Out of Stock Shenzhen Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

28657-39-8 / 3-chloro-4-methyl-6-phenylpyridazine

Standard CAS: 28657-39-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
28657-39-8
Multi CAS
No
Molecular Formula
C11H9ClN2
Molecular Weight
204.650000
Exact Mass
204.045426
SMILES
CC1=CC(=NN=C1Cl)C2=CC=CC=C2
InChI
InChI=1S/C11H9ClN2/c1-8-7-10(13-14-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKey
ROVPWRBPJHXFRE-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
57.22
TPSA
25.78

LogP / Solubility

WLOGP
3.11
MLOGP
2.73
XLogP3
2.8
Consensus LogP
2.88
Log S (ESOL)
-3.63
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.48
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-1.76

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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