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 | Beijing | Inquiry |
1137478-55-7 / 5-amino-3-methoxypyrazine-2-carbonitrile
5-amino-3-methoxypyrazine-2-carbonitrile | MFCD15144329 | SCHEMBL620504
Basic Information
CAS
1137478-55-7
Multi CAS
No
Molecular Formula
C6H6N4O
Molecular Weight
150.140000
Exact Mass
150.054161
SMILES
COC1=NC(=CN=C1C#N)N
InChI
InChI=1S/C6H6N4O/c1-11-6-4(2-7)9-3-5(8)10-6/h3H,1H3,(H2,8,10)
InChIKey
VELFKJVIXURHDI-UHFFFAOYSA-N
Synonyms
5-amino-3-methoxypyrazine-2-carbonitrile
MFCD15144329
SCHEMBL620504
VELFKJVIXURHDI-UHFFFAOYSA-N
AKOS023411466
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
1
Molar refractivity
37.71
TPSA
84.82
LogP / Solubility
WLOGP
-0.06
MLOGP
-0.06
XLogP3
-0.2
Consensus LogP
-0.11
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.75
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.71
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt
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![CAS 1137608-69-5 4-[2-Amino-6-[(1R)-1-[4-chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl]-2,2,2-trifluoroethoxy]-4-pyrimidinyl]-L-phenylalanine ethyl ester N-benzoylglycine salt molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1137608-69-5.gif)