CAS RN: 1823915-03-2
Ethyl 6-(Ethylamino)pyridazine-3-carboxylate
- Product code: SSC-083986
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
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
1823915-03-2 / ethyl 6-(ethylamino)pyridazine-3-carboxylate
Basic Information
CAS
1823915-03-2
Multi CAS
No
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
SMILES
CCNC1=NN=C(C=C1)C(=O)OCC
InChI
InChI=1S/C9H13N3O2/c1-3-10-8-6-5-7(11-12-8)9(13)14-4-2/h5-6H,3-4H2,1-2H3,(H,10,12)
InChIKey
JGOACYAAHFLGLF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.44
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
52.15
TPSA
64.11
LogP / Solubility
WLOGP
1.09
MLOGP
0.95
XLogP3
-0.2
Consensus LogP
0.61
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-1.94
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.31
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)
-3.14
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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