CAS RN: 946136-72-7
4-PYRIDINECARBOXALDEHYDE, 2-CHLORO-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.20250124 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS946136-72-7
- Purity/Analytical Methods: >99.0%
946136-72-7 / 2-chloro-5-nitropyridine-4-carbaldehyde
Basic Information
CAS
946136-72-7
Multi CAS
No
Molecular Formula
C6H3CLN2O3
Molecular Weight
186.550000
Exact Mass
185.983220
InChI
InChI=1S/C6H3ClN2O3/c7-6-1-4(3-10)5(2-8-6)9(11)12/h1-3H
InChIKey
GDLQCJPZKJSTIR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
41.29
TPSA
73.1
LogP / Solubility
WLOGP
1.46
MLOGP
1.28
XLogP3
1.1
Consensus LogP
1.28
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.14
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.32
Class (SILICOS-IT)
Moderately 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)
-2.82
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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