CAS RN: 344749-44-6
6-Methyl-5-nitropyridine-2,4-diol
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.20250627 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS344749-44-6
- Purity/Analytical Methods: >99.0%
344749-44-6 / 4-hydroxy-6-methyl-5-nitro-1H-pyridin-2-one
Basic Information
CAS
344749-44-6
Multi CAS
No
Molecular Formula
C6H6N2O4
Molecular Weight
170.120000
Exact Mass
170.032757
InChI
InChI=1S/C6H6N2O4/c1-3-6(8(11)12)4(9)2-5(10)7-3/h2H,1H3,(H2,7,9,10)
InChIKey
CIUJVYFTEYYUBS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
40.12
TPSA
96.23
LogP / Solubility
WLOGP
0.3
MLOGP
0.26
Consensus LogP
0.19
Log S (ESOL)
-1.39
Class (ESOL)
Soluble
Log S (Ali)
-1.17
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.13
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)
-3.55
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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