Bengamide A
TL;DR: Bengamide A (CAS 104947-68-4) is a chemical compound with molecular formula C31H56N2O8 and molecular weight 584.4037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[7-oxo-6-[(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino]azepan-3-yl] tetradecanoate
Also Known As: Bengamide A, NSSC 613012, [7-oxo-6-[[(E)-3,4,5-trihydroxy-2-methoxy-8-methyl-non-6-enoyl]amino]azepan-3-yl] tetradecanoate, [7-oxo-6-[(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino]azepan-3-yl] tetradecanoate
Technical Specifications
| Molecular Formula | C31H56N2O8 |
| Molecular Weight | 584.4037 g/mol |
| XLogP | 5.8 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 584.4037 Da |
| Heavy Atoms | 41 |
| Complexity | 775.0 |
| SMILES | CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)NC1)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC |
| InChIKey | NKASPYGDXVCCTA-UHFFFAOYSA-N |
Chemical Property Profile of Bengamide A
Property Insights of Bengamide A
The XLogP value of 5.8 indicates that Bengamide A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 154.0 Ų indicates high polarity, suggesting Bengamide A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bengamide A has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Bengamide A?
The CAS number of Bengamide A is 104947-68-4.
What is the molecular formula of Bengamide A?
The molecular formula of Bengamide A is C31H56N2O8.
What is the molecular weight of Bengamide A?
The molecular weight of Bengamide A is 584.4037 g/mol.
Where can I buy Bengamide A?
You can request a quote for Bengamide A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bengamide A?
Yes, CoreyChem provides custom synthesis services for Bengamide A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.