CAS RN: 2447-88-3
4-Amino-3-fluoropyridine
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.20250419 | 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2447-88-3
- Purity/Analytical Methods: >99.0%
2447-88-3 / 2,4-dichloro-N-pentylbenzamide
Basic Information
CAS
2447-88-3
Multi CAS
No
Molecular Formula
C12H15Cl2NO
Molecular Weight
260.160000
Exact Mass
259.053070
SMILES
CCCCCNC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H15Cl2NO/c1-2-3-4-7-15-12(16)10-6-5-9(13)8-11(10)14/h5-6,8H,2-4,7H2,1H3,(H,15,16)
InChIKey
QLFOKAOJSCZXRM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
5
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.32
TPSA
29.1
LogP / Solubility
WLOGP
3.91
MLOGP
3.45
XLogP3
4.2
Consensus LogP
3.85
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.2
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.53
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
![CAS 24481-60-5 6-Amino-v-triazolo[4,5-c]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/24481-60-5.gif)
