CAS RN: 202595-67-3
2-(BENZYLOXY)-5-(CHLOROMETHYL)PYRIDINE
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.20250129 | 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS202595-67-3
- Purity/Analytical Methods: >99.0%
202595-67-3 / 5-(chloromethyl)-2-phenylmethoxypyridine
Basic Information
CAS
202595-67-3
Multi CAS
No
Molecular Formula
C13H12ClNO
Molecular Weight
233.690000
Exact Mass
233.060742
SMILES
C1=CC=C(C=C1)COC2=NC=C(C=C2)CCl
InChI
InChI=1S/C13H12ClNO/c14-8-12-6-7-13(15-9-12)16-10-11-4-2-1-3-5-11/h1-7,9H,8,10H2
InChIKey
JGDILQQBHGZXEG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.15
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
64.57
TPSA
22.12
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3
Consensus LogP
3.13
Log S (ESOL)
-3.72
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.48
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)
-1.73
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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