CAS RN: 565169-47-3
3-(TOLUENE-3-SULFONYLAMINO)-PROPIONIC 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.20251027 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS565169-47-3
- Purity/Analytical Methods: >99.0%
565169-47-3 / 3-[(3-methylphenyl)sulfonylamino]propanoic acid
Basic Information
CAS
565169-47-3
Multi CAS
No
Molecular Formula
C10H13NO4S
Molecular Weight
243.280000
Exact Mass
243.056529
InChI
InChI=1S/C10H13NO4S/c1-8-3-2-4-9(7-8)16(14,15)11-6-5-10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13)
InChIKey
MXEIMTNGUSPVFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
58.62
TPSA
83.47
LogP / Solubility
WLOGP
0.75
MLOGP
0.66
XLogP3
0.7
Consensus LogP
0.7
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-2.09
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.46
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)
-3.67
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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