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 | Shenzhen | Inquiry |
16312-52-0 / 3-amino-6-methoxypyrazine-2-carboxylic acid
Basic Information
CAS
16312-52-0
Multi CAS
No
Molecular Formula
C6H7N3O3
Molecular Weight
169.140000
Exact Mass
169.048741
SMILES
COC1=CN=C(C(=N1)C(=O)O)N
InChI
InChI=1S/C6H7N3O3/c1-12-3-2-8-5(7)4(9-3)6(10)11/h2H,1H3,(H2,7,8)(H,10,11)
InChIKey
PFNOLVBWVBBRMV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
39.96
TPSA
98.33
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.21
XLogP3
0.2
Consensus LogP
-0.08
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.78
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.8
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)
-3.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
