CAS RN: 468068-39-5
6-Chloro-N-hydroxy-3-pyridinecarboximidamide
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.20250120 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS468068-39-5
- Purity/Analytical Methods: >99.0%
468068-39-5 / 6-chloro-N'-hydroxypyridine-3-carboximidamide
Basic Information
CAS
468068-39-5
Multi CAS
Yes
Molecular Formula
C6H6CLN3O
Molecular Weight
171.580000
Exact Mass
171.019940
InChI
InChI=1S/C6H6ClN3O/c7-5-2-1-4(3-9-5)6(8)10-11/h1-3,11H,(H2,8,10)
InChIKey
OIGJMMGKAZXCEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.76
TPSA
71.5
LogP / Solubility
WLOGP
0.83
MLOGP
0.73
XLogP3
0.9
Consensus LogP
0.82
Log S (ESOL)
-1.76
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.58
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.18
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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