CAS RN: 114549-79-0
2-(4-METHYL-2-PYRIDINYL)-4-PYRIDINE PROPANOL
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.20260220 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS114549-79-0
- Purity/Analytical Methods: >99.0%
114549-79-0 / 3-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]propan-1-ol
3-[2-(4-Methylpyridin-2-yl)-pyridin-4-yl]propan-1-ol | 3-(4'-Methyl-[2,2'-bipyridin]-4-yl)propan-1-ol | 3-[2-(4-methylpyridin-2-yl)pyridin-4-yl]propan-1-ol
Basic Information
CAS
114549-79-0
Multi CAS
Yes
Molecular Formula
C14H16N2O
Molecular Weight
228.290000
Exact Mass
228.126263
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)CCCO
InChI
InChI=1S/C14H16N2O/c1-11-4-6-15-13(9-11)14-10-12(3-2-8-17)5-7-16-14/h4-7,9-10,17H,2-3,8H2,1H3
InChIKey
GNHXIBAUFKPDNB-UHFFFAOYSA-N
Synonyms
3-[2-(4-Methylpyridin-2-yl)-pyridin-4-yl]propan-1-ol
3-(4'-Methyl-[2,2'-bipyridin]-4-yl)propan-1-ol
3-[2-(4-methylpyridin-2-yl)pyridin-4-yl]propan-1-ol
MFCD06637421
SCHEMBL8663704
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
67.61
TPSA
46.01
LogP / Solubility
WLOGP
2.38
MLOGP
2.1
XLogP3
1.8
Consensus LogP
2.09
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.15
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
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)
-2.42
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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