CAS RN: 886444-12-8
2-(2-FLUORO-PHENYL)-4-METHYL-PYRIDINE
Product Availability
Choose a grade to view its available package options.
3 package records0 with current stock2 grade groups
- Product code: starshine_CAS886444-12-8
- Purity/Analytical Methods: >99.0%
886444-12-8 / 2-(2-fluorophenyl)-4-methylpyridine
Basic Information
CAS
886444-12-8
Multi CAS
No
Molecular Formula
C12FH10N
Molecular Weight
187.210000
Exact Mass
187.079727
InChI
InChI=1S/C12H10FN/c1-9-6-7-14-12(8-9)10-4-2-3-5-11(10)13/h2-8H,1H3
InChIKey
TZPAVDQMASHXDZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
54.37
TPSA
12.89
LogP / Solubility
WLOGP
3.2
MLOGP
2.81
XLogP3
3
Consensus LogP
3
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.4
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.65
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 886449-72-5 1,7-Diazaspiro[4.5]decane-1-carboxylic acid, 6-oxo-, 1,1-diMethylethyl ester molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1,7-Diazaspiro[4.5]decane-1-carboxylic acid, 6-oxo-, 1,1-diMethylethyl ester
- CAS RN: 886449-72-5
- Product Code: SSC-199964
-
1H-BENZIMIDAZOLE, 2-CHLORO-5-(TRIFLUOROMETHOXY)-
- CAS RN: 886465-16-3
- Product Code: SSC-199966
-
1,1′-[(2-Phenyl-1-buten-1-ylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)]bis-pyrrolidine
- CAS RN: 886465-70-9
- Product Code: starshine_CAS886465-70-9
- Purity/Analytical method: >99.0%
-
-
-
(4-HYDROXY-PHENYL)-(2-OXO-PIPERIDIN-1-YL)-ACETIC ACID ETHYL ESTER
- CAS RN: 886493-63-6
- Product Code: starshine_CAS886493-63-6
- Purity/Analytical method: >99.0%
![CAS 886449-72-5 1,7-Diazaspiro[4.5]decane-1-carboxylic acid, 6-oxo-, 1,1-diMethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886449-72-5.gif)
![CAS 886465-70-9 1,1′-[(2-Phenyl-1-buten-1-ylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)]bis-pyrrolidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/886465-70-9.gif)
