CAS RN: 59724-69-5
(S)-Methyl 2-(4-methylphenylsulfonamido)propanoate
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.20250704 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS59724-69-5
- Purity/Analytical Methods: >99.0%
59724-69-5 / methyl 2-[(4-methylphenyl)sulfonylamino]propanoate
Basic Information
CAS
59724-69-5
Multi CAS
Yes
Molecular Formula
C11H15NO4S
Molecular Weight
257.310000
Exact Mass
257.072179
InChI
InChI=1S/C11H15NO4S/c1-8-4-6-10(7-5-8)17(14,15)12-9(2)11(13)16-3/h4-7,9,12H,1-3H3/t9-/m0/s1
InChIKey
ZACCMBDKBQLRAM-VIFPVBQESA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.98
TPSA
72.47
LogP / Solubility
WLOGP
0.83
MLOGP
0.74
XLogP3
1.6
Consensus LogP
1.06
Log S (ESOL)
-1.96
Class (ESOL)
Soluble
Log S (Ali)
-2.27
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.51
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)
-3.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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