CAS RN: 9002-97-5
POLY(VINYLSULFONIC ACID, SODIUM SALT)
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS9002-97-5
- Purity/Analytical Methods: >99.0%
9002-97-5 / sodium ethenesulfonate
Basic Information
CAS
9002-97-5
Multi CAS
No
Molecular Formula
C2H3NAO3S
Molecular Weight
130.100000
Exact Mass
129.970059
InChI
InChI=1S/C2H4O3S.Na/c1-2-6(3,4)5;/h2H,1H2,(H,3,4,5);/q;+1/p-1
InChIKey
BWYYYTVSBPRQCN-UHFFFAOYSA-M
Physical Properties
Physical Description
Liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
7
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
19.89
TPSA
57.2
LogP / Solubility
WLOGP
-3.32
MLOGP
-2.93
XLogP3
-3.32
Consensus LogP
-3.19
Log S (ESOL)
1.51
Class (ESOL)
Highly soluble
Log S (Ali)
1.77
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.13
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
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)
-5.87
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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