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CAS 303180-11-2 Pyrazole-3,5-dicarboxylic Acid Monohydrate molecular structure lightbox
CAS RN: 303180-11-2

Pyrazole-3,5-dicarboxylic Acid Monohydrate

  • Product code: SSC-134455
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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, 5g, 10g, 25g
  • 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 303180-11-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >97% 0 Out of Stock Shenzhen Inquiry
5g >97% 0 Out of Stock Shanghai Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry
25g >97% 0 Out of Stock Shanghai Inquiry

303180-11-2 / 1H-pyrazole-3,5-dicarboxylic acid;hydrate

Standard CAS: 303180-11-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
303180-11-2
Multi CAS
Yes
Molecular Formula
C5H6N2O5
Molecular Weight
174.110000
Exact Mass
174.027671
InChI
InChI=1S/C5H4N2O4.H2O/c8-4(9)2-1-3(5(10)11)7-6-2;/h1H,(H,6,7)(H,8,9)(H,10,11);1H2
InChIKey
GLINCONFUZIMCN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
3
Molar refractivity
36.12
TPSA
134.78

LogP / Solubility

WLOGP
-1.02
MLOGP
-0.9
XLogP3
-1.02
Consensus LogP
-0.98
Log S (ESOL)
-0.45
Class (ESOL)
Very soluble
Log S (Ali)
-0.25
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.19
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
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)
-4.51

Drug-likeness / Medicinal Chemistry

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

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