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CAS 501649-79-2 3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)benzoic acid molecular structure lightbox
CAS RN: 501649-79-2

3-(4,5-dichloro-6-oxopyridazin-1(6H)-yl)benzoic acid

  • Product code: SSC-156563
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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 501649-79-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

501649-79-2 / 3-(4,5-dichloro-6-oxopyridazin-1-yl)benzoic acid

Standard CAS: 501649-79-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
501649-79-2
Multi CAS
No
Molecular Formula
C11H6CL2N2O3
Molecular Weight
285.080000
Exact Mass
283.975547
InChI
InChI=1S/C11H6Cl2N2O3/c12-8-5-14-15(10(16)9(8)13)7-3-1-2-6(4-7)11(17)18/h1-5H,(H,17,18)
InChIKey
UCDIWDQNHGPZLN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
66.81
TPSA
72.19

LogP / Solubility

WLOGP
2.24
MLOGP
1.98
XLogP3
2.2
Consensus LogP
2.14
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.51
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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)
-2.87

Drug-likeness / Medicinal Chemistry

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

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