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CAS RN: 392313-57-4
N-(4-FLUOROPHENYL)-N-(METHYLSULFONYL)GLYCINE
- Product code: SSC-146913
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 | Shenzhen | Inquiry |
392313-57-4 / 2-(4-fluoro-N-methylsulfonylanilino)acetic acid
Basic Information
CAS
392313-57-4
Multi CAS
No
Molecular Formula
C9FH10NO4S
Molecular Weight
247.250000
Exact Mass
247.031457
InChI
InChI=1S/C9H10FNO4S/c1-16(14,15)11(6-9(12)13)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3,(H,12,13)
InChIKey
QXTAWUQQXRUPAP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.23
TPSA
74.68
LogP / Solubility
WLOGP
0.68
MLOGP
0.6
XLogP3
0.8
Consensus LogP
0.69
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-2.08
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.31
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)
-3.75
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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