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CAS 24346-00-7 S-ADENOSYL-L-METHIONINE CHLORIDE SALT molecular structure lightbox
CAS RN: 24346-00-7

S-ADENOSYL-L-METHIONINE CHLORIDE SALT

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250101 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS24346-00-7
  • Purity/Analytical Methods: >99.0%
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24346-00-7 / [(3S)-3-amino-3-carboxypropyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium chloride

Standard CAS: 24346-00-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24346-00-7
Multi CAS
No
Molecular Formula
C15H23ClN6O5S
Molecular Weight
434.900000
Exact Mass
434.113917
SMILES
C[S+](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O.[Cl-]
InChI
InChI=1S/C15H22N6O5S.ClH/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H/t7-,8+,10+,11+,14+,27?;/m0./s1
InChIKey
DYFPQIYEZQULMZ-XKGORWRGSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Aromatic heavy atom count
9
Fraction Csp3
0.6
Rotatable bonds
7
H-bond acceptors
10
H-bond donors
5
Molar refractivity
98.91
TPSA
182.63

LogP / Solubility

WLOGP
-4.92
MLOGP
-4.3
XLogP3
-4.92
Consensus LogP
-4.71
Log S (ESOL)
0.79
Class (ESOL)
Highly soluble
Log S (Ali)
0.42
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.76
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.86

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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