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CAS 412018-60-1 1(6H)-Pyridazineaceticacid,3-methyl-6-oxo-(9CI) molecular structure lightbox
CAS RN: 412018-60-1

1(6H)-Pyridazineaceticacid,3-methyl-6-oxo-(9CI)

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260511 1g Out of stock 15 business days Inquiry
  • Product code: starshine_CAS412018-60-1
  • Purity/Analytical Methods: >99.0%
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412018-60-1 / 2-(3-methyl-6-oxopyridazin-1-yl)acetic acid

Standard CAS: 412018-60-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
412018-60-1
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
InChI
InChI=1S/C7H8N2O3/c1-5-2-3-6(10)9(8-5)4-7(11)12/h2-3H,4H2,1H3,(H,11,12)
InChIKey
COOXMAGVIUSQDU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
40.87
TPSA
72.19

LogP / Solubility

WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.6
Consensus LogP
-0.43
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.69
Class (SILICOS-IT)
Very 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)
-4

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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