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CAS 1178768-37-0 6-(cyclopropylaMino)pyridazine-3-carboxylic acid molecular structure lightbox
CAS RN: 1178768-37-0

6-(cyclopropylaMino)pyridazine-3-carboxylic acid

  • Product code: SSC-017701
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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
  • 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 1178768-37-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1178768-37-0 / 6-(cyclopropylamino)pyridazine-3-carboxylic acid

6-(cyclopropylamino)pyridazine-3-carboxylic acid | MFCD12152627 | 6-(Cyclopropylamino)-3-pyridazinecarboxylic acid

Standard CAS: 1178768-37-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1178768-37-0
Multi CAS
No
Molecular Formula
C8H9N3O2
Molecular Weight
179.180000
Exact Mass
179.069477
SMILES
C1CC1NC2=NN=C(C=C2)C(=O)O
InChI
InChI=1S/C8H9N3O2/c12-8(13)6-3-4-7(11-10-6)9-5-1-2-5/h3-5H,1-2H2,(H,9,11)(H,12,13)
InChIKey
ANWODQMHGQHWAN-UHFFFAOYSA-N
Synonyms
6-(cyclopropylamino)pyridazine-3-carboxylic acid MFCD12152627 6-(Cyclopropylamino)-3-pyridazinecarboxylic acid AC3094 AKOS010006158

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.64
TPSA
75.11

LogP / Solubility

WLOGP
0.75
MLOGP
0.66
XLogP3
0.6
Consensus LogP
0.67
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
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)
-3.28

Drug-likeness / Medicinal Chemistry

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

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