![CAS 926260-38-0 2-Propenoic acid, 3-[4-[(dimethylamino)sulfonyl]phenyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/926260-38-0.gif)
CAS RN: 926260-38-0
2-Propenoic acid, 3-[4-[(dimethylamino)sulfonyl]phenyl]-
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.20250315 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS926260-38-0
- Purity/Analytical Methods: >99.0%
926260-38-0 / (E)-3-[4-(dimethylsulfamoyl)phenyl]prop-2-enoic acid
Basic Information
CAS
926260-38-0
Multi CAS
Yes
Molecular Formula
C11H13NO4S
Molecular Weight
255.290000
Exact Mass
255.056529
InChI
InChI=1S/C11H13NO4S/c1-12(2)17(15,16)10-6-3-9(4-7-10)5-8-11(13)14/h3-8H,1-2H3,(H,13,14)/b8-5+
InChIKey
BOVKAMOMPROOMA-VMPITWQZSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.98
TPSA
74.68
LogP / Solubility
WLOGP
1.03
MLOGP
0.92
XLogP3
2.5
Consensus LogP
1.48
Log S (ESOL)
-2.07
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.4
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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