Benastatin A
TL;DR: Benastatin A (CAS 138968-85-1) is a chemical compound with molecular formula C30H28O7 and molecular weight 500.1835 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentylbenzo[a]tetracene-2-carboxylic acid
Also Known As: Benastatin A, benastatin-A, 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentylbenzo[a]tetracene-2-carboxylic acid, Benzo(a)naphthacene-2-carboxylic acid, 8,13-dihydro-13,13-dimethyl-8-oxo-3-pentyl-1,7,9,11-tetrahydroxy-, 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-benzo[a]tetracene-2-carboxylic acid
Technical Specifications
| Molecular Formula | C30H28O7 |
| Molecular Weight | 500.1835 g/mol |
| XLogP | 8.4 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.1835 Da |
| Heavy Atoms | 37 |
| Complexity | 872.0 |
| SMILES | CCCCCC1=C(C(=C2C(=C1)C=CC3=C(C4=C(C=C32)C(C5=C(C4=O)C(=CC(=C5)O)O)(C)C)O)O)C(=O)O |
| InChIKey | LKGKHTANQJZVPR-UHFFFAOYSA-N |
Chemical Property Profile of Benastatin A
Property Insights of Benastatin A
The XLogP value of 8.4 indicates that Benastatin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benastatin A. Following Lipinski's Rule of Five, Benastatin A has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Benastatin A?
The CAS number of Benastatin A is 138968-85-1.
What is the molecular formula of Benastatin A?
The molecular formula of Benastatin A is C30H28O7.
What is the molecular weight of Benastatin A?
The molecular weight of Benastatin A is 500.1835 g/mol.
Where can I buy Benastatin A?
You can request a quote for Benastatin A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benastatin A?
Yes, CoreyChem provides custom synthesis services for Benastatin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.