CAS RN: 1643354-85-1
Methyl 2,3-dichloroquinoxaline-5-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250721 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1643354-85-1
- Purity/Analytical Methods: >99.0%
1643354-85-1 / methyl 2,3-dichloroquinoxaline-5-carboxylate
Basic Information
CAS
1643354-85-1
Multi CAS
No
Molecular Formula
C10H6Cl2N2O2
Molecular Weight
257.070000
Exact Mass
255.980633
SMILES
COC(=O)C1=C2C(=CC=C1)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C10H6Cl2N2O2/c1-16-10(15)5-3-2-4-6-7(5)14-9(12)8(11)13-6/h2-4H,1H3
InChIKey
GFBZMVKBLNQBEY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
60.9
TPSA
52.08
LogP / Solubility
WLOGP
2.72
MLOGP
2.4
XLogP3
3
Consensus LogP
2.71
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.71
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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