CAS RN: 582325-22-2
6-(3-Fluorophenyl)-nicotinic acid
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250721 | 1g | In stock | Shanghai | Inquiry |
- Product code: SSC-166482
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 5g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
582325-22-2 / 6-(3-fluorophenyl)pyridine-3-carboxylic acid
Basic Information
CAS
582325-22-2
Multi CAS
No
Molecular Formula
C12FH8NO2
Molecular Weight
217.200000
Exact Mass
217.053907
InChI
InChI=1S/C12H8FNO2/c13-10-3-1-2-8(6-10)11-5-4-9(7-14-11)12(15)16/h1-7H,(H,15,16)
InChIKey
OYDONGYKOJEHSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.59
TPSA
50.19
LogP / Solubility
WLOGP
2.59
MLOGP
2.28
XLogP3
2.1
Consensus LogP
2.32
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.46
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)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
1-Butyl-4-chloro-1,8-naphthyridin-2(1H)-one
- CAS RN: 583031-56-5
- Product Code: starshine_CAS583031-56-5
- Purity/Analytical method: >99.0%
-
Benzeneacetic acid, 3-bromo-5-formyl-4-(phenylmethoxy)-, methyl ester
- CAS RN: 583031-89-4
- Product Code: SSC-166544
-
EC-17
- CAS RN: 583037-91-6
- Product Code: starshine_CAS583037-91-6
- Purity/Analytical method: >99.0%
-
5-Bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine
- CAS RN: 583039-87-6
- Product Code: starshine_CAS583039-87-6
- Purity/Analytical method: >99.0%
-
2,7-Dihexyl[1]benzothieno[3,2-b][1]benzothiophene
- CAS RN: 583050-69-5
- Product Code: starshine_CAS583050-69-5
- Purity/Analytical method: >99.0%
![CAS 583039-87-6 5-Bromo-6-phenyl-1H-pyrazolo[3,4-b]pyridin-3-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/583039-87-6.gif)
![CAS 583050-69-5 2,7-Dihexyl[1]benzothieno[3,2-b][1]benzothiophene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/583050-69-5.gif)