![CAS 1005786-10-6 6-IODOIMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1005786-10-6.gif)
CAS RN: 1005786-10-6
6-IODOIMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLIC ACID ETHYL ESTER
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250228 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1005786-10-6
- Purity/Analytical Methods: >99.0%
1005786-10-6 / ethyl 6-iodoimidazo[1,2-b]pyridazine-2-carboxylate
Ethyl 6-Iodoimidazo[1,2-b]pyridazine-2-carboxylate | 6-IODOIMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLIC ACID ETHYL ESTER | SCHEMBL2517089
Basic Information
CAS
1005786-10-6
Multi CAS
No
Molecular Formula
C9H8IN3O2
Molecular Weight
317.080000
Exact Mass
316.966120
SMILES
CCOC(=O)C1=CN2C(=N1)C=CC(=N2)I
InChI
InChI=1S/C9H8IN3O2/c1-2-15-9(14)6-5-13-8(11-6)4-3-7(10)12-13/h3-5H,2H2,1H3
InChIKey
IOFOQBGKWGVLDW-UHFFFAOYSA-N
Synonyms
Ethyl 6-Iodoimidazo[1,2-b]pyridazine-2-carboxylate
6-IODOIMIDAZO[1,2-B]PYRIDAZINE-2-CARBOXYLIC ACID ETHYL ESTER
SCHEMBL2517089
DTXSID40679698
IOFOQBGKWGVLDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
61.66
TPSA
56.49
LogP / Solubility
WLOGP
1.51
MLOGP
1.34
XLogP3
1.6
Consensus LogP
1.48
Log S (ESOL)
-3.07
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.25
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.58
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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