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CAS 50920-64-4 4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER molecular structure lightbox
CAS RN: 50920-64-4

4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250217 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-157698
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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 50920-64-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

50920-64-4 / ethyl 2-ethyl-5-methylpyrazole-3-carboxylate

Standard CAS: 50920-64-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
50920-64-4
Multi CAS
Yes
Molecular Formula
C9H14N2O2
Molecular Weight
182.220000
Exact Mass
182.105528
InChI
InChI=1S/C9H14N2O2/c1-4-11-8(6-7(3)10-11)9(12)13-5-2/h6H,4-5H2,1-3H3
InChIKey
NTZFLNAMFHICLK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.56
Rotatable bonds
3
H-bond acceptors
4
Molar refractivity
48.59
TPSA
44.12

LogP / Solubility

WLOGP
1.39
MLOGP
1.22
XLogP3
1.5
Consensus LogP
1.37
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.36
Class (SILICOS-IT)
Moderately 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)
-2.85

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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