![CAS 5934-14-5 4-[[4-[(4-aminophenyl)sulphonyl]phenyl]amino]-4-oxobutyric acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5934-14-5.gif)
CAS RN: 5934-14-5
4-[[4-[(4-aminophenyl)sulphonyl]phenyl]amino]-4-oxobutyric acid
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.20250415 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5934-14-5
- Purity/Analytical Methods: >99.0%
5934-14-5 / 4-[4-(4-aminophenyl)sulfonylanilino]-4-oxobutanoic acid
Basic Information
CAS
5934-14-5
Multi CAS
No
Molecular Formula
C16H16N2O5S
Molecular Weight
348.400000
Exact Mass
348.077993
InChI
InChI=1S/C16H16N2O5S/c17-11-1-5-13(6-2-11)24(22,23)14-7-3-12(4-8-14)18-15(19)9-10-16(20)21/h1-8H,9-10,17H2,(H,18,19)(H,20,21)
InChIKey
QAJQUUOBVOKLOD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
6
H-bond acceptors
5
H-bond donors
3
Molar refractivity
88.25
TPSA
126.56
LogP / Solubility
WLOGP
1.9
MLOGP
1.69
XLogP3
0.6
Consensus LogP
1.4
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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![CAS 5936-58-3 2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB0274481.gif)
