![CAS 79100-20-2 5,6-Dichloro-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one molecular structure](https://starshinechemical.com/wp-content/uploads/2026/07/79100-20-2.png)
CAS RN: 79100-20-2
5,6-Dichloro-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260410 | 100mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
79100-20-2 / 5,6-dichloro-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
5,6-Dichloro-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one | NSC182398 | MFCD31698078
Basic Information
CAS
79100-20-2
Multi CAS
No
Molecular Formula
C5H2CL2N4O
Molecular Weight
205.000000
Exact Mass
203.960566
SMILES
C12=C(NC(=O)N1)N=C(C(=N2)Cl)Cl
InChI
InChI=1S/C5H2Cl2N4O/c6-1-2(7)9-4-3(8-1)10-5(12)11-4/h(H2,8,9,10,11,12)
InChIKey
OGHGBJRDHHOUQK-UHFFFAOYSA-N
Synonyms
5,6-Dichloro-1,3-dihydro-2H-imidazo[4,5-b]pyrazin-2-one
NSC182398
MFCD31698078
DTXSID90419420
NSC-182398
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.53
TPSA
74.43
LogP / Solubility
WLOGP
0.95
MLOGP
0.84
XLogP3
1
Consensus LogP
0.93
Log S (ESOL)
-2.27
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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