CAS RN: 2488-50-8
5-Fluorosulfonyl-2-methoxybenzoic acid
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250919 | 100mg | In stock | Shanghai, Chengdu | Inquiry |
| Batchno.20250508 | 1g | In stock | Shanghai, Wuhan, Chengdu | Inquiry |
| Batchno.20250618 | 250mg | In stock | Shanghai, Tianjin, Wuhan, Chengdu | Inquiry |
| Batchno.20251003 | 5g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry |
- Product code: starshine_CAS2488-50-8
- Purity/Analytical Methods: >99.0%
2488-50-8 / 5-fluorosulfonyl-2-methoxybenzoic acid
Basic Information
CAS
2488-50-8
Multi CAS
No
Molecular Formula
C8H7FO5S
Molecular Weight
234.200000
Exact Mass
233.999823
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)F)C(=O)O
InChI
InChI=1S/C8H7FO5S/c1-14-7-3-2-5(15(9,12)13)4-6(7)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey
JKEBLZKYIOYFNV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
48.25
TPSA
80.67
LogP / Solubility
WLOGP
1.05
MLOGP
0.93
XLogP3
0.9
Consensus LogP
0.96
Log S (ESOL)
-2.05
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.42
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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