CAS RN: 144692-85-3
2,3-Dichlorofuro[3,4-b]pyrazine-5,7-dione
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
| Batchno.20251213 |
250mg / 1g / 5g |
Out of stock |
5-7 business days | Inquiry |
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Product code:
starshine_CAS144692-85-3
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Purity/Analytical Methods:
>99.0%
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144692-85-3 / 2,3-dichlorofuro[3,4-b]pyrazine-5,7-dione
Standard CAS: 144692-85-3
Multi CAS: No
Basic Information
CAS
144692-85-3
Multi CAS
No
Molecular Formula
C6Cl2N2O3
Molecular Weight
218.980000
Exact Mass
217.928597
SMILES
C12=C(C(=O)OC1=O)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C6Cl2N2O3/c7-3-4(8)10-2-1(9-3)5(11)13-6(2)12
InChIKey
LHZDZLPHWGVCCB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
H-bond acceptors
5
Molar refractivity
41.8
TPSA
69.15
LogP / Solubility
WLOGP
1.09
MLOGP
0.96
XLogP3
1.7
Consensus LogP
1.25
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.15
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.99
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5