CAS RN: 874804-26-9
2-amino-6-fluoro-3-methylbenzoic 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.20250902 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-197500
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.25g, 5g, 0.1g, 1g
- Available purity: >97%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
874804-26-9 / 2-amino-6-fluoro-3-methylbenzoic acid
Basic Information
CAS
874804-26-9
Multi CAS
No
Molecular Formula
C8FH8NO2
Molecular Weight
169.150000
Exact Mass
169.053907
InChI
InChI=1S/C8H8FNO2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3H,10H2,1H3,(H,11,12)
InChIKey
LQGPVQQUWJIZAH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
42.51
TPSA
63.32
LogP / Solubility
WLOGP
1.41
MLOGP
1.24
XLogP3
1.8
Consensus LogP
1.48
Log S (ESOL)
-2.08
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.97
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.05
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)
-2.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
