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CAS 304672-01-3 1-PROPANESULFONIC ACID SODIUM SALT molecular structure lightbox
CAS RN: 304672-01-3

1-PROPANESULFONIC ACID SODIUM SALT

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Batchno.20251103 1g In stock Shanghai Inquiry
  • Product code: starshine_CAS304672-01-3
  • Purity/Analytical Methods: >99.0%
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304672-01-3 / sodium propane-1-sulfonate

Standard CAS: 304672-01-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
304672-01-3
Multi CAS
Yes
Molecular Formula
C3H7NAO3S
Molecular Weight
146.140000
Exact Mass
146.001360
InChI
InChI=1S/C3H8O3S.Na/c1-2-3-7(4,5)6;/h2-3H2,1H3,(H,4,5,6);/q;+1/p-1
InChIKey
NPAWNPCNZAPTKA-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
24.86
TPSA
57.2

LogP / Solubility

WLOGP
-3.05
MLOGP
-2.69
XLogP3
-3.05
Consensus LogP
-2.93
Log S (ESOL)
1.31
Class (ESOL)
Highly soluble
Log S (Ali)
1.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.69
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)
-5.78

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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