CAS RN: 3724-89-8

CYSTEAMINE S-PHOSPHATE SODIUM SALT

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  • Product code: starshine_CAS3724-89-8
  • Purity/Analytical Methods: >99.0%
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3724-89-8 / CYSTEAMINE S-PHOSPHATE SODIUM SALT

Standard CAS: 3724-89-8 Multi CAS: Yes

Basic Information

CAS
3724-89-8
Multi CAS
Yes
Molecular Formula
C2H8NNAO3PS
Molecular Weight
180.120000
Exact Mass
179.986021
InChI
InChI=1S/C2H8NO3PS.Na/c3-1-2-8-7(4,5)6;/h1-3H2,(H2,4,5,6);/q;+1/p-1
InChIKey
VZEGNYNPDZDIRW-UHFFFAOYSA-M

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
3
Molar refractivity
39.31
TPSA
83.55

LogP / Solubility

WLOGP
-0.61
MLOGP
-0.54
XLogP3
-0.61
Consensus LogP
-0.59
Log S (ESOL)
-0.37
Class (ESOL)
Very soluble
Log S (Ali)
-0.6
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.68
Class (SILICOS-IT)
Very 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)
-4.25

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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