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CAS 1178884-53-1 4-broMo-6-chloro-2-Methylpyridazin-3(2h)-one molecular structure lightbox
CAS RN: 1178884-53-1

4-broMo-6-chloro-2-Methylpyridazin-3(2h)-one

  • Product code: SSC-017716
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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 1178884-53-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

1178884-53-1 / 4-bromo-6-chloro-2-methylpyridazin-3-one

4-bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one | RefChem:520246 | 872-179-0

Standard CAS: 1178884-53-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1178884-53-1
Multi CAS
No
Molecular Formula
C5H4BrClN2O
Molecular Weight
223.450000
Exact Mass
221.919550
SMILES
CN1C(=O)C(=CC(=N1)Cl)Br
InChI
InChI=1S/C5H4BrClN2O/c1-9-5(10)3(6)2-4(7)8-9/h2H,1H3
InChIKey
HXCPMIRSWJJTGV-UHFFFAOYSA-N
Synonyms
4-bromo-6-chloro-2-methyl-2,3-dihydropyridazin-3-one RefChem:520246 872-179-0 4-BROMO-6-CHLORO-2-METHYLPYRIDAZIN-3(2H)-ONE 4-bromo-6-chloro-2-methylpyridazin-3-one

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
Molar refractivity
42.19
TPSA
34.89

LogP / Solubility

WLOGP
1.2
MLOGP
1.06
XLogP3
1.4
Consensus LogP
1.22
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.11
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)
-3.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
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] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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