S-腺苷-3-硫代丙胺
TL;DR: S-腺苷-3-硫代丙胺 (CAS 53186-57-5) is a chemical compound with molecular formula C13H20N6O3S and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-腺苷-3-硫代丙胺
(2S,3S,4R,5R)-2-(3-aminopropylsulfanylmethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Also Known As: S-Adenosyl-3-thiopropylamine, dcAdoHcy, dcSAH, dc-SAH, hydrocortisone acetate
| Molecular Formula | C13H20N6O3S |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 171.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.13177 |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 53186-57-5 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCCCN)O)O)N |
| InChIKey | FUSRAALGPJJIRO-QYVSTXNMSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-腺苷-3-硫代丙胺 (CAS 53186-57-5), with molecular formula C13H20N6O3S and molecular weight 340.13 g/mol. IUPAC: (2S,3S,4R,5R)-2-(3-aminopropylsulfanylmethyl)-5-(6-aminopurin-9-yl)oxolane-3,4-diol.
Chemical Property Profile of S-腺苷-3-硫代丙胺
Property Insights of S-腺苷-3-硫代丙胺
The XLogP value of -0.9 indicates that S-腺苷-3-硫代丙胺 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 171.0 Ų indicates high polarity, suggesting S-腺苷-3-硫代丙胺 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-腺苷-3-硫代丙胺 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-腺苷-3-硫代丙胺?
The CAS number of S-腺苷-3-硫代丙胺 is 53186-57-5.
What is the molecular formula of S-腺苷-3-硫代丙胺?
The molecular formula of S-腺苷-3-硫代丙胺 is C13H20N6O3S.
What is the molecular weight of S-腺苷-3-硫代丙胺?
The molecular weight of S-腺苷-3-硫代丙胺 is 340.13 g/mol.
Where can I buy S-腺苷-3-硫代丙胺?
You can request a quote for S-腺苷-3-硫代丙胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-腺苷-3-硫代丙胺?
Yes, KEHONG BIO provides custom synthesis services for S-腺苷-3-硫代丙胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.