Sinefungin
TL;DR: Sinefungin (CAS 58944-73-3) is a chemical compound with molecular formula C15H23N7O5 and molecular weight 381.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid
Also Known As: sinefungin, Sinefungina, Sinefungine, Sinefunginum, Adenosylornithine
| Molecular Formula | C15H23N7O5 |
|---|---|
| Molecular Weight | 381.18 g/mol |
| LogP | -4.3 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.17606 |
| Heavy Atoms | 27 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 58944-73-3 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)C[C@H](CC[C@@H](C(=O)O)N)N)O)O)N |
| InChIKey | LMXOHSDXUQEUSF-YECHIGJVSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sinefungin (CAS 58944-73-3), with molecular formula C15H23N7O5 and molecular weight 381.18 g/mol. IUPAC: (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid.
Chemical Property Profile of Sinefungin
Property Insights of Sinefungin
The XLogP value of -4.3 indicates that Sinefungin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting Sinefungin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sinefungin has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Sinefungin?
The CAS number of Sinefungin is 58944-73-3.
What is the molecular formula of Sinefungin?
The molecular formula of Sinefungin is C15H23N7O5.
What is the molecular weight of Sinefungin?
The molecular weight of Sinefungin is 381.18 g/mol.
Where can I buy Sinefungin?
You can request a quote for Sinefungin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sinefungin?
Yes, KEHONG BIO provides custom synthesis services for Sinefungin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.