[email protected]
CAS 214701-31-2 3-Acetyl-6-chloropyridazine molecular structure lightbox
CAS RN: 214701-31-2

3-Acetyl-6-chloropyridazine

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250322 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250916 100mg In stock Shanghai Inquiry
Batchno.20250316 10g In stock Shanghai Inquiry
Batchno.20260118 1g In stock Shanghai, Tianjin Inquiry
Batchno.20260529 250mg In stock Shanghai Inquiry
Batchno.20260318 5g In stock Shanghai, Tianjin, Wuhan Inquiry
  • Product code: SSC-102930
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: 1g
  • Available purity: >97%
  • 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 214701-31-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry

214701-31-2 / 1-(6-chloropyridazin-3-yl)ethanone

Standard CAS: 214701-31-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
214701-31-2
Multi CAS
No
Molecular Formula
C6H5ClN2O
Molecular Weight
156.570000
Exact Mass
156.009041
SMILES
CC(=O)C1=NN=C(C=C1)Cl
InChI
InChI=1S/C6H5ClN2O/c1-4(10)5-2-3-6(7)9-8-5/h2-3H,1H3
InChIKey
FSVMLIDYMQRPDD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.05
TPSA
42.85

LogP / Solubility

WLOGP
1.33
MLOGP
1.17
XLogP3
0.8
Consensus LogP
1.1
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.81
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

Drug-likeness / Medicinal Chemistry

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

Customers Also Viewed

Get In Touch

Contact Us