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CAS 1179655-77-6 Methyl 6-(Ethylamino)pyridazine-3-carboxylate molecular structure lightbox
CAS RN: 1179655-77-6

Methyl 6-(Ethylamino)pyridazine-3-carboxylate

  • Product code: SSC-017814
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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 1179655-77-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1179655-77-6 / methyl 6-(ethylamino)pyridazine-3-carboxylate

methyl 6-(ethylamino)pyridazine-3-carboxylate | MFCD12149171 | methyl6-(ethylamino)pyridazine-3-carboxylate

Standard CAS: 1179655-77-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1179655-77-6
Multi CAS
No
Molecular Formula
C8H11N3O2
Molecular Weight
181.190000
Exact Mass
181.085127
SMILES
CCNC1=NN=C(C=C1)C(=O)OC
InChI
InChI=1S/C8H11N3O2/c1-3-9-7-5-4-6(10-11-7)8(12)13-2/h4-5H,3H2,1-2H3,(H,9,11)
InChIKey
NBQPFMOREIBSRS-UHFFFAOYSA-N
Synonyms
methyl 6-(ethylamino)pyridazine-3-carboxylate MFCD12149171 methyl6-(ethylamino)pyridazine-3-carboxylate AC3095 AKOS009328402

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
47.54
TPSA
64.11

LogP / Solubility

WLOGP
0.69
MLOGP
0.61
XLogP3
0.7
Consensus LogP
0.67
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.55
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.33

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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