CAS RN: 146775-28-2
2-(CHLOROMETHYL)-5-PHENYLPYRIDINE
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.20250518 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS146775-28-2
- Purity/Analytical Methods: >99.0%
146775-28-2 / 2-(chloromethyl)-5-phenylpyridine
Basic Information
CAS
146775-28-2
Multi CAS
No
Molecular Formula
C12H10ClN
Molecular Weight
203.670000
Exact Mass
203.050177
SMILES
C1=CC=C(C=C1)C2=CN=C(C=C2)CCl
InChI
InChI=1S/C12H10ClN/c13-8-12-7-6-11(9-14-12)10-4-2-1-3-5-10/h1-7,9H,8H2
InChIKey
YJFTUIPJJBKOQG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
59.23
TPSA
12.89
LogP / Solubility
WLOGP
3.49
MLOGP
3.07
XLogP3
2.9
Consensus LogP
3.15
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.75
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.12
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)
-1.49
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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