Purpurogenon
TL;DR: Purpurogenon (CAS 31077-93-7) is a chemical compound with molecular formula C29H20O11 and molecular weight 544.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,13,18,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.01,17.04,26.05,14.07,12.019,24]heptacosa-5(14),6,9,12,17,19(24),20,22-octaene-3,8,11,16,25-pentone
Also Known As: Purpurogenon, PURPUROGENONE, 5,8,9,17,18,19-Hexahydroxy-2,11-dimethyl-6,16-dihydro-13a,16,6-(ethane[1,1,2]triyl)cyclonona[1,2-b:5,6-b']dinaphthalene-1,4,7,13,15(14H)-pentone
| Molecular Formula | C29H20O11 |
|---|---|
| Molecular Weight | 544.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 0 |
| Exact Mass | 544.1006 |
| Heavy Atoms | 40 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 31077-93-7 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=C3C(=O)C4C(C5(C3(C2=O)CC(=O)C5C6=C4C(=C7C(=O)C=C(C(=O)C7=C6O)C)O)O)O)O |
| InChIKey | BULDDHNZYKJLBU-UHFFFAOYSA-N |
Product Overview
Purpurogenon (CAS 31077-93-7), with molecular formula C29H20O11 and molecular weight 544.10 g/mol. IUPAC: 6,13,18,20,26,27-hexahydroxy-9,22-dimethylheptacyclo[13.10.2.01,17.04,26.05,14.07,12.019,24]heptacosa-5(14),6,9,12,17,19(24),20,22-octaene-3,8,11,16,25-pentone.
Chemical Property Profile of Purpurogenon
Property Insights of Purpurogenon
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Purpurogenon. The TPSA of 207.0 Ų indicates high polarity, suggesting Purpurogenon may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Purpurogenon has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Purpurogenon?
The CAS number of Purpurogenon is 31077-93-7.
What is the molecular formula of Purpurogenon?
The molecular formula of Purpurogenon is C29H20O11.
What is the molecular weight of Purpurogenon?
The molecular weight of Purpurogenon is 544.10 g/mol.
Where can I buy Purpurogenon?
You can request a quote for Purpurogenon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Purpurogenon?
Yes, KEHONG BIO provides custom synthesis services for Purpurogenon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.