sirodesmin K
TL;DR: sirodesmin K (CAS 129029-27-2) is a chemical compound with molecular formula C20H26N2O8S4 and molecular weight 550.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-hydroxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate
Also Known As: sirodesmin K, 10a-Hydroxy-5-(hydroxymethyl)-4',4',5',13-tetramethyl-3',6,12-trioxohexahydro-10H-spiro[5,11a-(epiminomethano)cyclopenta[4,5]pyrrolo[2,1-e][1,2,3,4,6]tetrathiazocine-9,2'-oxolan]-10-yl acetate
| Molecular Formula | C20H26N2O8S4 |
|---|---|
| Molecular Weight | 550.06 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 550.0572 |
| Heavy Atoms | 34 |
| Complexity | 1010.0 |
Chemical Identifiers
| CAS Number | 129029-27-2 |
|---|---|
| SMILES | CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SSSS5)CO)O)(C)C |
| InChIKey | HRTWROLCNILHTD-UHFFFAOYSA-N |
Product Overview
sirodesmin K (CAS 129029-27-2), with molecular formula C20H26N2O8S4 and molecular weight 550.06 g/mol. IUPAC: [3-hydroxy-10-(hydroxymethyl)-4',4',5',16-tetramethyl-3',9,15-trioxospiro[11,12,13,14-tetrathia-8,16-diazatetracyclo[8.4.2.01,8.03,7]hexadecane-5,2'-oxolane]-4-yl] acetate.
Chemical Property Profile of sirodesmin K
Property Insights of sirodesmin K
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for sirodesmin K. The TPSA of 235.0 Ų indicates high polarity, suggesting sirodesmin K may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, sirodesmin K has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of sirodesmin K?
The CAS number of sirodesmin K is 129029-27-2.
What is the molecular formula of sirodesmin K?
The molecular formula of sirodesmin K is C20H26N2O8S4.
What is the molecular weight of sirodesmin K?
The molecular weight of sirodesmin K is 550.06 g/mol.
Where can I buy sirodesmin K?
You can request a quote for sirodesmin K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for sirodesmin K?
Yes, KEHONG BIO provides custom synthesis services for sirodesmin K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.