Benzanthrin A
TL;DR: Benzanthrin A (CAS 103618-16-2) is a chemical compound with molecular formula C35H42N2O9 and molecular weight 634.289 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-1-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione
Also Known As: Benzanthrin A, Benzanthrin B, 2-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-1-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy-6,8-dihydroxy-3-methylbenzo[a]anthracene-7,12-dione, 1,5-anhydro-2,3,6-trideoxy-1-(6,8-dihydroxy-3-methyl-7,12-dioxo-1-{[2,3,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-7,12-dihydrotetraphen-2-yl)-3-(dimethylamino)hexitol, Benz(a)anthracene-7,12-dione, 6,8-dihydroxy-3-methyl-2-(2,3,6-trideoxy-3-(dimethylamino)-beta-arabino-hexopyranosyl)-1-((2,3,6-trideoxy-3-(dimethylamino)-beta-lyxo-hexopyranosyl)oxy)-
Technical Specifications
| Molecular Formula | C35H42N2O9 |
| Molecular Weight | 634.289 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 149.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 634.289 Da |
| Heavy Atoms | 46 |
| Complexity | 1120.0 |
| SMILES | CC1C(C(CC(O1)C2=C(C3=C4C(=C(C=C3C=C2C)O)C(=O)C5=C(C4=O)C=CC=C5O)OC6CC(C(C(O6)C)O)N(C)C)N(C)C)O |
| InChIKey | LEUWPSNVHJODDS-UHFFFAOYSA-N |
Chemical Property Profile of Benzanthrin A
Property Insights of Benzanthrin A
The XLogP value of 4.1 indicates that Benzanthrin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 149.0 Ų indicates high polarity, suggesting Benzanthrin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzanthrin A has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benzanthrin A?
The CAS number of Benzanthrin A is 103618-16-2.
What is the molecular formula of Benzanthrin A?
The molecular formula of Benzanthrin A is C35H42N2O9.
What is the molecular weight of Benzanthrin A?
The molecular weight of Benzanthrin A is 634.289 g/mol.
Where can I buy Benzanthrin A?
You can request a quote for Benzanthrin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzanthrin A?
Yes, CoreyChem provides custom synthesis services for Benzanthrin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.