CAS RN: 206127-25-5
METHYL-6-PHENYL-2-PYRIDINE CARBOXYLATE
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.20251218 | 250mg / 1g / 5g / 25g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS206127-25-5
- Purity/Analytical Methods: >99.0%
206127-25-5 / methyl 6-phenylpyridine-2-carboxylate
Basic Information
CAS
206127-25-5
Multi CAS
No
Molecular Formula
C13H11NO2
Molecular Weight
213.230000
Exact Mass
213.078979
SMILES
COC(=O)C1=CC=CC(=N1)C2=CC=CC=C2
InChI
InChI=1S/C13H11NO2/c1-16-13(15)12-9-5-8-11(14-12)10-6-3-2-4-7-10/h2-9H,1H3
InChIKey
SCLJKMDPGCDUNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
61.01
TPSA
39.19
LogP / Solubility
WLOGP
2.54
MLOGP
2.23
XLogP3
2.7
Consensus LogP
2.49
Log S (ESOL)
-3.18
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.39
Class (SILICOS-IT)
Poorly 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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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