CAS RN: 1060806-76-9
4-AMino-6-Methoxy-nicotinic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251111 | 100mg / 250mg / 500mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1060806-76-9
- Purity/Analytical Methods: >99.0%
1060806-76-9 / 4-amino-6-methoxypyridine-3-carboxylic acid
4-AMINO-6-METHOXYNICOTINIC ACID | 4-AMINO-6-METHOXYPYRIDINE-3-CARBOXYLIC ACID | 4-AMINO-6-METHOXY-NICOTINIC ACID
Basic Information
CAS
1060806-76-9
Multi CAS
No
Molecular Formula
C7H8N2O3
Molecular Weight
168.150000
Exact Mass
168.053492
SMILES
COC1=NC=C(C(=C1)N)C(=O)O
InChI
InChI=1S/C7H8N2O3/c1-12-6-2-5(8)4(3-9-6)7(10)11/h2-3H,1H3,(H2,8,9)(H,10,11)
InChIKey
JJPXZQDQKRYINL-UHFFFAOYSA-N
Synonyms
4-AMINO-6-METHOXYNICOTINIC ACID
4-AMINO-6-METHOXYPYRIDINE-3-CARBOXYLIC ACID
4-AMINO-6-METHOXY-NICOTINIC ACID
MFCD13188738
DTXSID80696081
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.14
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
42.16
TPSA
85.44
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.6
Consensus LogP
0.43
Log S (ESOL)
-1.35
Class (ESOL)
Soluble
Log S (Ali)
-1.21
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.3
Class (SILICOS-IT)
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)
-3.48
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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- CAS RN: 1060807-37-5
- Product Code: starshine_CAS1060807-37-5
- Purity/Analytical method: >99.0%
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