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CAS 51363-82-7 2-(4-chloro-1H-pyrazol-1-yl)propanoic acid(SALTDATA: FREE) molecular structure lightbox
CAS RN: 51363-82-7

2-(4-chloro-1H-pyrazol-1-yl)propanoic acid(SALTDATA: FREE)

  • Product code: SSC-158218
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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: 5g
  • 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 51363-82-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

51363-82-7 / 2-(4-chloropyrazol-1-yl)propanoic acid

Standard CAS: 51363-82-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
51363-82-7
Multi CAS
Yes
Molecular Formula
C6H7CLN2O2
Molecular Weight
174.580000
Exact Mass
174.019605
InChI
InChI=1S/C6H7ClN2O2/c1-4(6(10)11)9-3-5(7)2-8-9/h2-4H,1H3,(H,10,11)
InChIKey
WTNFOIQEOSAJAG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.58
TPSA
55.12

LogP / Solubility

WLOGP
1.18
MLOGP
1.04
XLogP3
1
Consensus LogP
1.07
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.85
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-2.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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