![CAS 554438-95-8 2-([(2-FLUOROPHENYL)SULFONYL]AMINO)ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3440483.gif)
CAS RN: 554438-95-8
2-([(2-FLUOROPHENYL)SULFONYL]AMINO)ACETIC ACID
- Product code: SSC-163367
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: 1g
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
554438-95-8 / 2-[(2-fluorophenyl)sulfonylamino]acetic acid
Basic Information
CAS
554438-95-8
Multi CAS
No
Molecular Formula
C8FH8NO4S
Molecular Weight
233.220000
Exact Mass
233.015807
InChI
InChI=1S/C8H8FNO4S/c9-6-3-1-2-4-7(6)15(13,14)10-5-8(11)12/h1-4,10H,5H2,(H,11,12)
InChIKey
VCVJBFXDPYNOJC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.22
TPSA
83.47
LogP / Solubility
WLOGP
0.19
MLOGP
0.17
XLogP3
0.6
Consensus LogP
0.32
Log S (ESOL)
-1.44
Class (ESOL)
Soluble
Log S (Ali)
-1.61
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.81
Class (SILICOS-IT)
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)
-4.01
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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