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CAS 81303-65-3 4-Ethyl hydrogen 1-methyl-1h-pyrazole-4,5-dicarboxylate molecular structure lightbox
CAS RN: 81303-65-3

4-Ethyl hydrogen 1-methyl-1h-pyrazole-4,5-dicarboxylate

  • Product code: SSC-189814
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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: ＞97%
  • 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 81303-65-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

81303-65-3 / 4-ethoxycarbonyl-1-methylpyrazole-5-carboxylic acid

Standard CAS: 81303-65-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
81303-65-3
Multi CAS
No
Molecular Formula
C8H10N2O4
Molecular Weight
198.180000
Exact Mass
198.064057
InChI
InChI=1S/C8H10N2O4/c1-3-14-8(13)5-4-9-10(2)6(5)7(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKey
INIPCPYOESSJQP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
5
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
46.12
TPSA
81.42

LogP / Solubility

WLOGP
0.3
MLOGP
0.26
XLogP3
0.3
Consensus LogP
0.29
Log S (ESOL)
-1.32
Class (ESOL)
Soluble
Log S (Ali)
-1.4
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

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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