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CAS 881668-70-8 5-Chloro-1H-pyrazole-3-carboxylic acid molecular structure lightbox
CAS RN: 881668-70-8

5-Chloro-1H-pyrazole-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 100mg / 250mg / 1g / 5g / 10g Out of stock 5-7 business days Inquiry
  • Product code: SSC-198653
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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: 0.25g, 1g, 5g
  • 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 881668-70-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g >97% 0 Out of Stock Beijing Inquiry
1g >97% 0 Out of Stock Shanghai Inquiry
5g >97% 0 Out of Stock Shenzhen Inquiry

881668-70-8 / 5-chloro-1H-pyrazole-3-carboxylic acid

Standard CAS: 881668-70-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
881668-70-8
Multi CAS
No
Molecular Formula
C4H3CLN2O2
Molecular Weight
146.530000
Exact Mass
145.988305
InChI
InChI=1S/C4H3ClN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChIKey
MOTPCOWWOZSEHC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.56
TPSA
65.98

LogP / Solubility

WLOGP
0.76
MLOGP
0.66
XLogP3
1
Consensus LogP
0.81
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.31
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.07

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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