CAS RN: 1256819-25-6
3-(3-Fluoropyridin-4-yl)propanoic 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.20250823 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1256819-25-6
- Purity/Analytical Methods: >99.0%
1256819-25-6 / 3-(3-fluoro-4-pyridinyl)propanoic acid
Basic Information
CAS
1256819-25-6
Multi CAS
No
Molecular Formula
C8H8FNO2
Molecular Weight
169.150000
Exact Mass
169.053907
SMILES
C1=CN=CC(=C1CCC(=O)O)F
InChI
InChI=1S/C8H8FNO2/c9-7-5-10-4-3-6(7)1-2-8(11)12/h3-5H,1-2H2,(H,11,12)
InChIKey
IYPZWKYLDFQUEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
40.15
TPSA
50.19
LogP / Solubility
WLOGP
1.24
MLOGP
1.09
XLogP3
0.7
Consensus LogP
1.01
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.84
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.15
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
-
-
2-Fluoro-3-Methoxypyridine-5-carboxylic acid
- CAS RN: 1256819-38-1
- Product Code: SSC-030797
-
5-Bromo-3-Isopropyl-1H-Pyrrolo[2,3-B]Pyridine
- CAS RN: 1256819-54-1
- Product Code: SSC-030798
-
4-Pyridinecarboxylic acid, 2-bromo-5-methoxy-, methyl ester
- CAS RN: 1256819-65-4
- Product Code: starshine_CAS1256819-65-4
- Purity/Analytical method: >99.0%
-
![CAS 1256819-54-1 5-Bromo-3-Isopropyl-1H-Pyrrolo[2,3-B]Pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1256819-54-1.gif)
