CAS RN: 17436-02-1

L-SERINE O-SULFATE POTASSIUM SALT

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260619 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS17436-02-1
  • Purity/Analytical Methods: >99.0%
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17436-02-1 / potassium [(2S)-2-amino-2-carboxyethyl] sulfate

Standard CAS: 17436-02-1 Multi CAS: No

Basic Information

CAS
17436-02-1
Multi CAS
No
Molecular Formula
C3H6KNO6S
Molecular Weight
223.250000
Exact Mass
222.955290
SMILES
C([C@@H](C(=O)O)N)OS(=O)(=O)[O-].[K+]
InChI
InChI=1S/C3H7NO6S.K/c4-2(3(5)6)1-10-11(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);/q;+1/p-1/t2-;/m0./s1
InChIKey
LXIPCUMLLKNUSU-DKWTVANSSA-M

Computed Properties

Structural Parameters

Heavy atom count
12
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
31.26
TPSA
129.75

LogP / Solubility

WLOGP
-5.12
MLOGP
-4.5
XLogP3
-5.12
Consensus LogP
-4.91
Log S (ESOL)
2.27
Class (ESOL)
Highly soluble
Log S (Ali)
2.31
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.66
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)
-7.72

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
2

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