CAS RN: 84611-43-8
PYRIDINE, 2-CHLORO-5-(PHENYLMETHOXY)-
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.20260415 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS84611-43-8
- Purity/Analytical Methods: >99.0%
84611-43-8 / 2-chloro-5-phenylmethoxypyridine
Basic Information
CAS
84611-43-8
Multi CAS
No
Molecular Formula
C12H10CLNO
Molecular Weight
219.660000
Exact Mass
219.045092
InChI
InChI=1S/C12H10ClNO/c13-12-7-6-11(8-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey
QLUMNDLJGBUHPB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
60.02
TPSA
22.12
LogP / Solubility
WLOGP
3.31
MLOGP
2.92
XLogP3
3.3
Consensus LogP
3.18
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.2
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)
-1.71
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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![CAS 84632-54-2 3,6-bis(4-bromophenyl)-2,5-dihydro-Pyrrolo[3,4-c]pyrrole-1,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/84632-54-2.gif)