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CAS 32089-46-6 (4-CHLORO-PYRAZOL-1-YL)-ACETIC ACID molecular structure lightbox
CAS RN: 32089-46-6

(4-CHLORO-PYRAZOL-1-YL)-ACETIC ACID

  • Product code: SSC-137570
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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
  • 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 32089-46-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

32089-46-6 / 5-(chloromethyl)-1H-pyrimidine-2,4-dione

Standard CAS: 32089-46-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
32089-46-6
Multi CAS
Yes
Molecular Formula
C5H5CLN2O2
Molecular Weight
160.560000
Exact Mass
160.003955
InChI
InChI=1S/C5H5ClN2O2/c6-4-1-7-8(2-4)3-5(9)10/h1-2H,3H2,(H,9,10)
InChIKey
KPXIVTIAZUNIOR-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
37.24
TPSA
65.72

LogP / Solubility

WLOGP
-0.2
MLOGP
-0.18
XLogP3
-1.2
Consensus LogP
-0.53
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-0.73
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.66
Class (SILICOS-IT)
Very 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)
-3.84

Drug-likeness / Medicinal Chemistry

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

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