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CAS 2122011-13-4 1H-Pyrazole-5-carboxylic acid, 3-(methoxymethyl)-1-methyl-, methyl ester molecular structure lightbox
CAS RN: 2122011-13-4

1H-Pyrazole-5-carboxylic acid, 3-(methoxymethyl)-1-methyl-, methyl ester

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260617 100mg / 250mg / 500mg Out of stock 1 business days Inquiry
  • Product code: SSC-101364
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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 2122011-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

2122011-13-4 / methyl 3-(methoxymethyl)-1-methylpyrazole-5-carboxylate

Standard CAS: 2122011-13-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2122011-13-4
Multi CAS
No
Molecular Formula
C8H12N2O3
Molecular Weight
184.190000
Exact Mass
184.084792
SMILES
CN1C(=CC(=N1)COC)C(=O)OC
InChI
InChI=1S/C8H12N2O3/c1-10-7(8(11)13-3)4-6(9-10)5-12-2/h4H,5H2,1-3H3
InChIKey
KLGBESSUKYMYCO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
45.26
TPSA
53.35

LogP / Solubility

WLOGP
0.35
MLOGP
0.31
XLogP3
0.1
Consensus LogP
0.25
Log S (ESOL)
-1.29
Class (ESOL)
Soluble
Log S (Ali)
-1.33
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.51
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)
-3.59

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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