Sirodesmin A
TL;DR: Sirodesmin A (CAS 52988-50-8) is a chemical compound with molecular formula C20H26N2O8S2 and molecular weight 486.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,3S,4S,5R,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxospiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-oxolane]-4-yl] acetate
Also Known As: Sirodesmin A, Sirodesmin PL, (5 R,7R)-Sirodesmin A, TAN-1496B, Spiro[furan-2(3H),7'(8'H)-[3,9a](iminomethano)[9aH] cyclopen
| Molecular Formula | C20H26N2O8S2 |
|---|---|
| Molecular Weight | 486.11 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 486.11307 |
| Heavy Atoms | 32 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 52988-50-8 |
|---|---|
| SMILES | C[C@@H]1C(C(=O)[C@@]2(O1)C[C@@H]3[C@]([C@@H]2OC(=O)C)(C[C@]45N3C(=O)[C@](N(C4=O)C)(SS5)CO)O)(C)C |
| InChIKey | KTAIGLOGMSQPCG-AUVCUMBHSA-N |
Product Overview
Sirodesmin A (CAS 52988-50-8), with molecular formula C20H26N2O8S2 and molecular weight 486.11 g/mol. IUPAC: [(1R,3S,4S,5R,5'R,7R,10R)-3-hydroxy-10-(hydroxymethyl)-4',4',5',14-tetramethyl-3',9,13-trioxospiro[11,12-dithia-8,14-diazatetracyclo[8.2.2.01,8.03,7]tetradecane-5,2'-oxolane]-4-yl] acetate.
Chemical Property Profile of Sirodesmin A
Property Insights of Sirodesmin A
The XLogP value of -0.6 indicates that Sirodesmin A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting Sirodesmin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sirodesmin A has 2 hydrogen bond donor(s) and 10 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 Sirodesmin A?
The CAS number of Sirodesmin A is 52988-50-8.
What is the molecular formula of Sirodesmin A?
The molecular formula of Sirodesmin A is C20H26N2O8S2.
What is the molecular weight of Sirodesmin A?
The molecular weight of Sirodesmin A is 486.11 g/mol.
Where can I buy Sirodesmin A?
You can request a quote for Sirodesmin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sirodesmin A?
Yes, KEHONG BIO provides custom synthesis services for Sirodesmin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.