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CAS 1023307-42-7 3-Chloropyridazine-4-carboxylicacid molecular structure lightbox
CAS RN: 1023307-42-7

3-Chloropyridazine-4-carboxylicacid

  • Product code: SSC-003609
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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
  • 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 1023307-42-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥95% 0 Out of Stock Hong Kong Inquiry

1023307-42-7 / 3-chloropyridazine-4-carboxylic acid

3-Chloropyridazine-4-carboxylic acid | DTXSID10617946 | RefChem:278645

Standard CAS: 1023307-42-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1023307-42-7
Multi CAS
No
Molecular Formula
C5H3ClN2O2
Molecular Weight
158.540000
Exact Mass
157.988305
SMILES
C1=CN=NC(=C1C(=O)O)Cl
InChI
InChI=1S/C5H3ClN2O2/c6-4-3(5(9)10)1-2-7-8-4/h1-2H,(H,9,10)
InChIKey
DIIPMDIMBLOAHA-UHFFFAOYSA-N
Synonyms
3-Chloropyridazine-4-carboxylic acid DTXSID10617946 RefChem:278645 DTXCID90568700 831-623-3

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
34
TPSA
63.08

LogP / Solubility

WLOGP
0.83
MLOGP
0.72
XLogP3
0.3
Consensus LogP
0.62
Log S (ESOL)
-1.72
Class (ESOL)
Soluble
Log S (Ali)
-1.46
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
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)
-3.1

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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