[email protected]
CAS 1780089-06-6 4-Pyridazinecarboxylic acid, 3-amino-6-chloro- molecular structure lightbox
CAS RN: 1780089-06-6

4-Pyridazinecarboxylic acid, 3-amino-6-chloro-

  • Product code: SSC-077974
GET A QUOTE
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
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1780089-06-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1780089-06-6 / 3-amino-6-chloropyridazine-4-carboxylic acid

Standard CAS: 1780089-06-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1780089-06-6
Multi CAS
No
Molecular Formula
C5H4ClN3O2
Molecular Weight
173.560000
Exact Mass
172.999204
SMILES
C1=C(C(=NN=C1Cl)N)C(=O)O
InChI
InChI=1S/C5H4ClN3O2/c6-3-1-2(5(10)11)4(7)9-8-3/h1H,(H2,7,9)(H,10,11)
InChIKey
XXMQZAKGBFGMMX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
38.41
TPSA
89.1

LogP / Solubility

WLOGP
0.41
MLOGP
0.36
XLogP3
0.5
Consensus LogP
0.42
Log S (ESOL)
-1.51
Class (ESOL)
Soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-3.49

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)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us