Anhydrophlegmacin B2
TL;DR: Anhydrophlegmacin B2 (CAS 40451-45-4) is a chemical compound with molecular formula C32H28O9 and molecular weight 556.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-10H-anthracen-9-one
Also Known As: Anhydrophlegmacin, Anhydrophlegmacin B2, 1,2',5',8,10'-pentahydroxy-3,7'-dimethoxy-2',6-dimethyl-1',2',3',4',9,10-hexahydro-[2,9'-bianthracene]-4',9-dione, 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-10H-anthracen-9-one, 2 ,3 -Dihydro-1,2 ,5 ,8,10 -pentahydroxy-3,7 -dimethoxy-2 ,6-dimethyl[2,9 -bianthracene]-4 ,9(1 H,10H)-dione
| Molecular Formula | C32H28O9 |
|---|---|
| Molecular Weight | 556.17 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 556.17334 |
| Heavy Atoms | 41 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 40451-45-4 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C(=C(C=C3C2)OC)C4=C5CC(CC(=O)C5=C(C6=C4C=C(C=C6O)OC)O)(C)O)O |
| InChIKey | PBRWKDURCHPDEL-UHFFFAOYSA-N |
Product Overview
Anhydrophlegmacin B2 (CAS 40451-45-4), with molecular formula C32H28O9 and molecular weight 556.17 g/mol. IUPAC: 1,8-dihydroxy-3-methoxy-6-methyl-2-(2,5,10-trihydroxy-7-methoxy-2-methyl-4-oxo-1,3-dihydroanthracen-9-yl)-10H-anthracen-9-one.
Chemical Property Profile of Anhydrophlegmacin B2
Property Insights of Anhydrophlegmacin B2
The XLogP value of 5.5 indicates that Anhydrophlegmacin B2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Anhydrophlegmacin B2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Anhydrophlegmacin B2 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 Anhydrophlegmacin B2?
The CAS number of Anhydrophlegmacin B2 is 40451-45-4.
What is the molecular formula of Anhydrophlegmacin B2?
The molecular formula of Anhydrophlegmacin B2 is C32H28O9.
What is the molecular weight of Anhydrophlegmacin B2?
The molecular weight of Anhydrophlegmacin B2 is 556.17 g/mol.
Where can I buy Anhydrophlegmacin B2?
You can request a quote for Anhydrophlegmacin B2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anhydrophlegmacin B2?
Yes, KEHONG BIO provides custom synthesis services for Anhydrophlegmacin B2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.