CAS RN: 51362-49-3
2-PHENOXYPYRIDINE-3-CARBONYL CHLORIDE
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.20251004 | 5g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS51362-49-3
- Purity/Analytical Methods: >99.0%
51362-49-3 / 2-phenoxypyridine-3-carbonyl chloride
Basic Information
CAS
51362-49-3
Multi CAS
No
Molecular Formula
C12H8CLNO2
Molecular Weight
233.650000
Exact Mass
233.024356
InChI
InChI=1S/C12H8ClNO2/c13-11(15)10-7-4-8-14-12(10)16-9-5-2-1-3-6-9/h1-8H
InChIKey
ILBAQNFTHRLAEH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
60.94
TPSA
39.19
LogP / Solubility
WLOGP
3.25
MLOGP
2.87
XLogP3
3.2
Consensus LogP
3.11
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.24
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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