CAS RN: 1137606-74-6
2-Pyrazinecarbonitrile, 6-fluoro-3,4-dihydro-3-oxo-, coMpd. with N-cyclohexylcyclohexanaMine (1:1)
- Product code: SSC-013753
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 | Shanghai | Inquiry |
1137606-74-6 / N-cyclohexylcyclohexanamine;5-fluoro-2-oxo-1H-pyrazine-3-carbonitrile
6-Fluoro-3-oxo-3,4-dihydropyrazine-2-carbonitrile compound with dicyclohexylamine (1:1) | N-cyclohexylcyclohexanamine;5-fluoro-2-oxo-1H-pyrazine-3-carbonitrile | Favipiravir N-1 Int.
Basic Information
CAS
1137606-74-6
Multi CAS
Yes
Molecular Formula
C17H25FN4O
Molecular Weight
320.400000
Exact Mass
320.201240
SMILES
C1CCC(CC1)NC2CCCCC2.C1=C(N=C(C(=O)N1)C#N)F
InChI
InChI=1S/C12H23N.C5H2FN3O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;6-4-2-8-5(10)3(1-7)9-4/h11-13H,1-10H2;2H,(H,8,10)
InChIKey
CUEAMQKUSNCUDI-UHFFFAOYSA-N
Synonyms
6-Fluoro-3-oxo-3,4-dihydropyrazine-2-carbonitrile compound with dicyclohexylamine (1:1)
N-cyclohexylcyclohexanamine;5-fluoro-2-oxo-1H-pyrazine-3-carbonitrile
Favipiravir N-1 Int.
C17H25FN4O
SCHEMBL28456157
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
86.41
TPSA
81.57
LogP / Solubility
WLOGP
3.02
MLOGP
2.67
XLogP3
3.02
Consensus LogP
2.9
Log S (ESOL)
-3.79
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.53
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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