CAS RN: 149744-21-8
6-(benzyloxy)pyridine-2-carboxylic acid
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.20250601 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS149744-21-8
- Purity/Analytical Methods: >99.0%
149744-21-8 / 6-phenylmethoxypyridine-2-carboxylic acid
Basic Information
CAS
149744-21-8
Multi CAS
No
Molecular Formula
C13H11NO3
Molecular Weight
229.230000
Exact Mass
229.073893
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=N2)C(=O)O
InChI
InChI=1S/C13H11NO3/c15-13(16)11-7-4-8-12(14-11)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)
InChIKey
VCQAXRMOPNGIIB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.97
TPSA
59.42
LogP / Solubility
WLOGP
2.36
MLOGP
2.08
XLogP3
2.5
Consensus LogP
2.31
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.59
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)
-2.44
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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