Purpuromycin
TL;DR: Purpuromycin (CAS 53969-01-0) is a chemical compound with molecular formula C26H18O13 and molecular weight 538.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
Also Known As: Purpuromycin, Hydroxyrubromycin, methyl 4,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate, Spiro(benzo(1,2-b:5,4-c)-dipyran-2(3H),2'(3'H)-naphtho(2,3-b)furan)-7-carboxylic acid, 4,5',8',9-tetrahydro-4,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxo-, methyl ester, 4,5 ,8 ,9-Tetrahydro-4,4 ,9 ,10-tetrahydroxy-7 -methoxy-5 ,8 ,9-trioxospiro[benzo[1,2-b:5,4-c ]dipyran-2(3H),2 (3 H)-naphtho[2,3-b]furan]-7-carboxylic acid methyl ester
| Molecular Formula | C26H18O13 |
|---|---|
| Molecular Weight | 538.07 g/mol |
| LogP | 1.753 |
| Topological Polar Surface Area | 199.26 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 538.07477 |
| Heavy Atoms | 39 |
| Complexity | 1762.3678 |
Chemical Identifiers
| CAS Number | 53969-01-0 |
|---|---|
| SMILES | COC1=CC(=O)C2=C(C1=O)C(=C3C(=C2O)CC4(O3)CC(C5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)O |
Product Overview
Purpuromycin (CAS 53969-01-0), with molecular formula C26H18O13 and molecular weight 538.07 g/mol. IUPAC: methyl 4,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate.
Chemical Property Profile of Purpuromycin
Property Insights of Purpuromycin
The XLogP value of 1.753 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purpuromycin. The TPSA of 199.26 Ų indicates high polarity, suggesting Purpuromycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Purpuromycin has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Purpuromycin?
The CAS number of Purpuromycin is 53969-01-0.
What is the molecular formula of Purpuromycin?
The molecular formula of Purpuromycin is C26H18O13.
What is the molecular weight of Purpuromycin?
The molecular weight of Purpuromycin is 538.07 g/mol.
Where can I buy Purpuromycin?
You can request a quote for Purpuromycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purpuromycin?
Yes, KEHONG BIO provides custom synthesis services for Purpuromycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.