[email protected]
CAS 400858-54-0 1H-Pyrazole-4-carboxylicacid,1-ethyl-(9CI) molecular structure lightbox
CAS RN: 400858-54-0

1H-Pyrazole-4-carboxylicacid,1-ethyl-(9CI)

  • Product code: SSC-148033
GET A QUOTE
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: 0.25g, 1g, 5g
  • Available purity: >97%
  • Inventory rows with stock: 2
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 400858-54-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g -- 2 In Stock Shanghai Inquiry
0.25g >97% 2 In Stock Shanghai Inquiry
1g -- 0 Out of Stock Shenzhen Inquiry
1g >97% 0 Out of Stock Hong Kong Inquiry
5g -- 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Beijing Inquiry

400858-54-0 / 1-ethylpyrazole-4-carboxylic acid

Standard CAS: 400858-54-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
400858-54-0
Multi CAS
No
Molecular Formula
C6H8N2O2
Molecular Weight
140.140000
Exact Mass
140.058578
InChI
InChI=1S/C6H8N2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChIKey
BXXOXFNLGLMZSO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34.86
TPSA
55.12

LogP / Solubility

WLOGP
0.6
MLOGP
0.52
XLogP3
0.1
Consensus LogP
0.41
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.14
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.31
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)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Customers Also Viewed

Get In Touch

Contact Us