Phlegmacin
TL;DR: Phlegmacin (CAS 40501-61-9) is a chemical compound with molecular formula C32H30O10 and molecular weight 574.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8,9-trihydroxy-6-methoxy-3-methyl-7-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-2,4-dihydroanthracen-1-one
Also Known As: Phlegmacin, 1,2',5',6,9,10'-HEXAHYDROXY-3,7'-DIMETHOXY-2',6-DIMETHYL-1',2',3',4',5,6,7,8-OCTAHYDRO-[2,9'-BIANTHRACENE]-4',8-DIONE, 1,2',5',6,9,10'-Hexahydroxy-3,7'-dimethoxy-2',6-dimethyl-2',3',6,7-tetrahydro[2,9'-bianthracene]-4',8(1'H,5H)-dione, 2 ,3 ,6,7-Tetrahydro-1,2 ,5 ,6,9,10 -hexahydroxy-3,7 -dimethoxy-2 ,6-dimethyl-2,9 -bianthracene-4 ,8(1 H,5H)-dione
| Molecular Formula | C32H30O10 |
|---|---|
| Molecular Weight | 574.18 g/mol |
| LogP | 4.2594 |
| Topological Polar Surface Area | 173.98 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 574.1839 |
| Heavy Atoms | 42 |
| Complexity | 1883.3 |
Chemical Identifiers
| CAS Number | 40501-61-9 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=C(C(=C3O)C4=C5CC(CC(=O)C5=C(C6=C4C=C(C=C6O)OC)O)(C)O)OC)O)O |
Product Overview
Phlegmacin (CAS 40501-61-9), with molecular formula C32H30O10 and molecular weight 574.18 g/mol. IUPAC: 3,8,9-trihydroxy-6-methoxy-3-methyl-7-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-2,4-dihydroanthracen-1-one.
Chemical Property Profile of Phlegmacin
Property Insights of Phlegmacin
The XLogP value of 4.2594 indicates that Phlegmacin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.98 Ų indicates high polarity, suggesting Phlegmacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phlegmacin has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phlegmacin?
The CAS number of Phlegmacin is 40501-61-9.
What is the molecular formula of Phlegmacin?
The molecular formula of Phlegmacin is C32H30O10.
What is the molecular weight of Phlegmacin?
The molecular weight of Phlegmacin is 574.18 g/mol.
Where can I buy Phlegmacin?
You can request a quote for Phlegmacin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phlegmacin?
Yes, KEHONG BIO provides custom synthesis services for Phlegmacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.