CAS RN: 26837-42-3
POLYVINYLSULFURIC ACID POTASSIUM SALT
Product Availability
Choose a grade to view its available package options.
6 package records5 with current stock4 grade groups
- Product code: starshine_CAS26837-42-3
- Purity/Analytical Methods: >99.0%
26837-42-3 / 4-(4-aminophenyl)sulfonylphenol
Basic Information
CAS
26837-42-3
Multi CAS
No
Molecular Formula
C12H11NO3S
Molecular Weight
249.290000
Exact Mass
249.045964
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H11NO3S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,14H,13H2
InChIKey
PSHPCZGANRRQDN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
64.41
TPSA
80.39
LogP / Solubility
WLOGP
1.81
MLOGP
1.6
XLogP3
1.6
Consensus LogP
1.67
Log S (ESOL)
-2.91
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
1-(2-MORPHOLIN-4-YLETHYL)-1H-BENZIMIDAZOL-2-AMINE
- CAS RN: 26840-48-2
- Product Code: starshine_CAS26840-48-2
- Purity/Analytical method: >99.0%
-
BICYCLO[2.2.2]OCTANE-2,3-DICARBOXYLIC ANHYDRIDE
- CAS RN: 26843-47-0
- Product Code: SSC-125183
-
2-CHLORO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE
- CAS RN: 26846-98-0
- Product Code: SSC-125186
-
-
3-isopropyl-1-adamantanecarboxylic acid
- CAS RN: 26847-09-6
- Product Code: starshine_CAS26847-09-6
- Purity/Analytical method: >99.0%
-
Propanenitrile,2-[(4-hydroxyphenyl)amino]-2-methyl-
- CAS RN: 26850-26-0
- Product Code: SSC-125192
![CAS 26843-47-0 BICYCLO[2.2.2]OCTANE-2,3-DICARBOXYLIC ANHYDRIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26843-47-0.gif)
![CAS 26850-26-0 Propanenitrile,2-[(4-hydroxyphenyl)amino]-2-methyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26850-26-0.gif)