[email protected]
CAS 13645-43-7 4,5-DICHLORO-6-NITRO-2,3-DIHYDROPYRIDAZIN-3-ONE molecular structure lightbox
CAS RN: 13645-43-7

4,5-DICHLORO-6-NITRO-2,3-DIHYDROPYRIDAZIN-3-ONE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260331 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS13645-43-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

13645-43-7 / 4,5-dichloro-3-nitro-1H-pyridazin-6-one

Standard CAS: 13645-43-7 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13645-43-7
Multi CAS
No
Molecular Formula
C4HCl2N3O3
Molecular Weight
209.970000
Exact Mass
208.939496
SMILES
C1(=C(C(=NNC1=O)[N+](=O)[O-])Cl)Cl
InChI
InChI=1S/C4HCl2N3O3/c5-1-2(6)4(10)8-7-3(1)9(11)12/h(H,8,10)
InChIKey
SCNATHDZNWMBOX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
41.53
TPSA
88.89

LogP / Solubility

WLOGP
0.98
MLOGP
0.87
XLogP3
1.2
Consensus LogP
1.02
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.99
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3

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

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] H320 (100%): Causes 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

Customers Also Viewed

Get In Touch

Contact Us