CAS RN: 176548-72-4
3-FLUORO-5-METHOXYBENZOIC ACID 98
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250207 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20250930 | 10g | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20250721 | 1g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20250217 | 25g | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20250123 | 500g | In stock | Shanghai, Tianjin | Inquiry |
| Batchno.20260209 | 5g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
- Product code: SSC-077311
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: 1g, 5g, 10g, 25g
- Available purity: >97%
- Inventory rows with stock: 1
- 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.
176548-72-4 / 3-fluoro-5-methoxybenzoic acid
Basic Information
CAS
176548-72-4
Multi CAS
No
Molecular Formula
C8H7FO3
Molecular Weight
170.140000
Exact Mass
170.037922
SMILES
COC1=CC(=CC(=C1)C(=O)O)F
InChI
InChI=1S/C8H7FO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H,10,11)
InChIKey
WUHJSLPINVJGPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
39.91
TPSA
46.53
LogP / Solubility
WLOGP
1.53
MLOGP
1.35
XLogP3
2.3
Consensus LogP
1.73
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
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)
-2.67
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
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