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CAS 82231-51-4 4-METHYLPYRAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 82231-51-4

4-METHYLPYRAZOLE-5-CARBOXYLIC ACID

  • Product code: SSC-190429
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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, 5g, 25g, 10g, 0.25g, 100g
  • Available purity: >98%
  • Inventory rows with stock: 5
  • 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 82231-51-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >98% 3 In Stock Shanghai Inquiry
5g >98% 3 In Stock Shenzhen Inquiry
25g >98% 3 In Stock Shanghai Inquiry
10g >98% 2 In Stock Hong Kong Inquiry
0.25g >98% 1 In Stock Hong Kong Inquiry
100g >98% 0 Out of Stock Hong Kong Inquiry

82231-51-4 / 4-methoxy-1H-pyridazin-6-one

Standard CAS: 82231-51-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
82231-51-4
Multi CAS
Yes
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
InChI
InChI=1S/C5H6N2O2/c1-3-2-6-7-4(3)5(8)9/h2H,1H3,(H,6,7)(H,8,9)
InChIKey
FNHVVMJBCILJGA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.41
TPSA
54.98

LogP / Solubility

WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.5
Consensus LogP
-0.31
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
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)
-3.65

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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