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CAS 55781-86-7 methyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate molecular structure lightbox
CAS RN: 55781-86-7

methyl 3-methoxy-1-methyl-1H-pyrazole-5-carboxylate

  • Product code: SSC-163743
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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 55781-86-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

55781-86-7 / methyl 3-methoxy-1-methylpyrazole-5-carboxylate

Standard CAS: 55781-86-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
55781-86-7
Multi CAS
No
Molecular Formula
C7H10N2O3
Molecular Weight
170.170000
Exact Mass
170.069142
InChI
InChI=1S/C7H10N2O3/c1-9-5(7(10)12-3)4-6(8-9)11-2/h4H,1-3H3
InChIKey
AJNPYYYAGKQFPX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
41.1
TPSA
53.35

LogP / Solubility

WLOGP
0.22
MLOGP
0.19
XLogP3
0.7
Consensus LogP
0.37
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-1.11
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.18
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)
-3.61

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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