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CAS 1183803-85-1 6-(isopropylaMino)pyridazine-3-carboxylic acid molecular structure lightbox
CAS RN: 1183803-85-1

6-(isopropylaMino)pyridazine-3-carboxylic acid

  • Product code: SSC-018147
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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 1183803-85-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1183803-85-1 / 6-(propan-2-ylamino)pyridazine-3-carboxylic acid

6-(Isopropylamino)pyridazine-3-carboxylic Acid | MFCD12152624 | 6-(propan-2-ylamino)pyridazine-3-carboxylic acid

Standard CAS: 1183803-85-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1183803-85-1
Multi CAS
No
Molecular Formula
C8H11N3O2
Molecular Weight
181.190000
Exact Mass
181.085127
SMILES
CC(C)NC1=NN=C(C=C1)C(=O)O
InChI
InChI=1S/C8H11N3O2/c1-5(2)9-7-4-3-6(8(12)13)10-11-7/h3-5H,1-2H3,(H,9,11)(H,12,13)
InChIKey
DCMACCOFTDKEMJ-UHFFFAOYSA-N
Synonyms
6-(Isopropylamino)pyridazine-3-carboxylic Acid MFCD12152624 6-(propan-2-ylamino)pyridazine-3-carboxylic acid 6-[(propan-2-yl)amino]pyridazine-3-carboxylic acid 6-(Isopropylamino)-3-pyridazinecarboxylic acid

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
47.75
TPSA
75.11

LogP / Solubility

WLOGP
1
MLOGP
0.87
XLogP3
0.8
Consensus LogP
0.89
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.76
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.02
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)
-3.12

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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