Virginiamycin S3
TL;DR: Virginiamycin S3 (CAS 33477-39-3) is a chemical compound with molecular formula C43H49N7O11 and molecular weight 839.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-benzyl-12-ethyl-25-hydroxy-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide
Also Known As: Virginiamycin S3, Staphylomycin S3, Virginiamycin S1, 5-(5-hydroxy-4-oxo-L-2-piperidinecarboxylic acid)-, N-(22-Benzyl-6-ethyl-18-hydroxy-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1,4,7,10,13,16]oxapentaazacyclononadecin-9-yl)-3-hydroxy-2-pyridinecarbo #
| Molecular Formula | C43H49N7O11 |
|---|---|
| Molecular Weight | 839.35 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 245.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 839.349 |
| Heavy Atoms | 61 |
| Complexity | 1650.0 |
Chemical Identifiers
| CAS Number | 33477-39-3 |
|---|---|
| SMILES | CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CC(C(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)O)CC6=CC=CC=C6)C |
| InChIKey | AVCLYXFQZNDKMW-UHFFFAOYSA-N |
Product Overview
Virginiamycin S3 (CAS 33477-39-3), with molecular formula C43H49N7O11 and molecular weight 839.35 g/mol. IUPAC: N-(3-benzyl-12-ethyl-25-hydroxy-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl)-3-hydroxypyridine-2-carboxamide.
Chemical Property Profile of Virginiamycin S3
Property Insights of Virginiamycin S3
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Virginiamycin S3. The TPSA of 245.0 Ų indicates high polarity, suggesting Virginiamycin S3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Virginiamycin S3 has 5 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 Virginiamycin S3?
The CAS number of Virginiamycin S3 is 33477-39-3.
What is the molecular formula of Virginiamycin S3?
The molecular formula of Virginiamycin S3 is C43H49N7O11.
What is the molecular weight of Virginiamycin S3?
The molecular weight of Virginiamycin S3 is 839.35 g/mol.
Where can I buy Virginiamycin S3?
You can request a quote for Virginiamycin S3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Virginiamycin S3?
Yes, KEHONG BIO provides custom synthesis services for Virginiamycin S3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.