TL;DR: 7-Chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one (CAS 55256-58-1) is a chemical compound with molecular formula C19H13ClO6 and molecular weight 372.04007 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.03,10.04,8.014,19]icosa-1,3(10),5,11,14(19),15,17-heptaen-20-one
Also Known As: Austocystin A, AUSTOCYSTIN A FROM ASPERGILLUS USTUS, 7-chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one, 5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-7-chloro-4,6-dimethoxy-, (3aS-cis)-, 5H-Furo(3',2':4,5)furo(3,2-b)xanthen-5-one, 3a,12a-dihydro-7-chloro-4,6-dimethoxy-, (3aS,12aR)-
| Molecular Formula | C19H13ClO6 |
| Molecular Weight | 372.04007 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.04007 Da |
| Heavy Atoms | 26 |
| Complexity | 611.0 |
| SMILES | COC1=C(C=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC5C4C=CO5)OC)Cl |
| InChIKey | POXKBPUNCDMQMW-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 7-Chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one. Following Lipinski's Rule of Five, 7-Chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 7-Chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one is 55256-58-1.
The molecular formula of 7-Chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one is C19H13ClO6.
The molecular weight of 7-Chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3',2':4,5]furo[3,2-b]xanthen-5-one is 372.04007 g/mol.
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