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CAS 35899-53-7 S-ADENOSYL-L-CYSTEINE molecular structure lightbox
CAS RN: 35899-53-7

S-ADENOSYL-L-CYSTEINE

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250220 25mg / 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS35899-53-7
  • Purity/Analytical Methods: >99.0%
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35899-53-7 / 2-amino-3-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propanoic acid

Standard CAS: 35899-53-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35899-53-7
Multi CAS
Yes
Molecular Formula
C13H18N6O5S
Molecular Weight
370.390000
Exact Mass
370.105939
InChI
InChI=1S/C13H18N6O5S/c14-5(13(22)23)1-25-2-6-8(20)9(21)12(24-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-21H,1-2,14H2,(H,22,23)(H2,15,16,17)
InChIKey
RVFHZLGRQFCOKV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
9
Fraction Csp3
0.54
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
5
Molar refractivity
88.6
TPSA
182.63

LogP / Solubility

WLOGP
-1.83
MLOGP
-1.59
XLogP3
-3.9
Consensus LogP
-2.44
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-1.28
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.27
Class (SILICOS-IT)
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)
-6.28

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5

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