CAS RN: 59724-82-2
Glycine, N-phenyl-N-(phenylsulfonyl)-
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.20250825 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59724-82-2
- Purity/Analytical Methods: >99.0%
59724-82-2 / 2-[N-(benzenesulfonyl)anilino]acetic acid
Basic Information
CAS
59724-82-2
Multi CAS
No
Molecular Formula
C14H13NO4S
Molecular Weight
291.320000
Exact Mass
291.056529
InChI
InChI=1S/C14H13NO4S/c16-14(17)11-15(12-7-3-1-4-8-12)20(18,19)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,17)
InChIKey
XDJLYGOCDZDEIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.05
TPSA
74.68
LogP / Solubility
WLOGP
1.97
MLOGP
1.74
XLogP3
2.2
Consensus LogP
1.97
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.37
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.79
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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