CAS RN: 4318-68-7
3,4-Pyridinediamine, 5-nitro-
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.20260408 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS4318-68-7
- Purity/Analytical Methods: >99.0%
4318-68-7 / 5-nitropyridine-3,4-diamine
Basic Information
CAS
4318-68-7
Multi CAS
No
Molecular Formula
C5H6N4O2
Molecular Weight
154.130000
Exact Mass
154.049075
InChI
InChI=1S/C5H6N4O2/c6-3-1-8-2-4(5(3)7)9(10)11/h1-2H,6H2,(H2,7,8)
InChIKey
OMUADEPNIQXNRG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
39.72
TPSA
108.07
LogP / Solubility
WLOGP
0.15
MLOGP
0.13
XLogP3
-0.1
Consensus LogP
0.06
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-0.94
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.91
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)
-3.55
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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- CAS RN: 4319-68-0
- Product Code: starshine_CAS4319-68-0
- Purity/Analytical method: >99.0%
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