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CAS 6752-13-2 1H-pyrazole-1-acetic acid, 4-iodo- molecular structure lightbox
CAS RN: 6752-13-2

1H-pyrazole-1-acetic acid, 4-iodo-

  • Product code: SSC-177221
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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 6752-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

6752-13-2 / 2-(4-iodopyrazol-1-yl)acetic acid

Standard CAS: 6752-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6752-13-2
Multi CAS
No
Molecular Formula
C5H5In2O2
Molecular Weight
252.010000
Exact Mass
251.939570
InChI
InChI=1S/C5H5IN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)
InChIKey
VYRSJDHAOMNMLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.58
TPSA
55.12

LogP / Solubility

WLOGP
0.57
MLOGP
0.51
XLogP3
0.6
Consensus LogP
0.56
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.01
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)
-3.85

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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