Setomimycin
TL;DR: Setomimycin (CAS 72484-73-2) is a chemical compound with molecular formula C34H28O9 and molecular weight 580.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one
Also Known As: Setomimycin, Setomimicin, Antibiotic AM 2947, Antibiotic A 39183B, Antibiotic A-39183B
| Molecular Formula | C34H28O9 |
|---|---|
| Molecular Weight | 580.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 580.17334 |
| Heavy Atoms | 43 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 72484-73-2 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(C3=C(C=CC=C3O)C(=C2C1C(=O)C)C4=C5C(C(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)C(=O)C)O |
| InChIKey | BIEJOJJMQZEKED-UHFFFAOYSA-N |
Product Overview
Setomimycin (CAS 72484-73-2), with molecular formula C34H28O9 and molecular weight 580.17 g/mol. IUPAC: 4-acetyl-10-(1-acetyl-2,5,10-trihydroxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-8,9-dihydroxy-3-methyl-4H-anthracen-1-one.
Chemical Property Profile of Setomimycin
Property Insights of Setomimycin
The XLogP value of 4.6 indicates that Setomimycin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 169.0 Ų indicates high polarity, suggesting Setomimycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Setomimycin has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Setomimycin?
The CAS number of Setomimycin is 72484-73-2.
What is the molecular formula of Setomimycin?
The molecular formula of Setomimycin is C34H28O9.
What is the molecular weight of Setomimycin?
The molecular weight of Setomimycin is 580.17 g/mol.
Where can I buy Setomimycin?
You can request a quote for Setomimycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Setomimycin?
Yes, KEHONG BIO provides custom synthesis services for Setomimycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.