Bengamide B
TL;DR: Bengamide B (CAS 104947-69-5) is a chemical compound with molecular formula C32H58N2O8 and molecular weight 598.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-methyl-7-oxo-6-[(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino]azepan-3-yl] tetradecanoate
Also Known As: Bengamide B, [1-methyl-7-oxo-6-[(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino]azepan-3-yl] tetradecanoate
| Molecular Formula | C32H58N2O8 |
|---|---|
| Molecular Weight | 598.42 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 22 |
| Exact Mass | 598.4193 |
| Heavy Atoms | 42 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 104947-69-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)N(C1)C)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC |
| InChIKey | PFRKTXMXGDERHT-UHFFFAOYSA-N |
Product Overview
Bengamide B (CAS 104947-69-5), with molecular formula C32H58N2O8 and molecular weight 598.42 g/mol. IUPAC: [1-methyl-7-oxo-6-[(3,4,5-trihydroxy-2-methoxy-8-methylnon-6-enoyl)amino]azepan-3-yl] tetradecanoate.
Chemical Property Profile of Bengamide B
Property Insights of Bengamide B
The XLogP value of 6.0 indicates that Bengamide B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting Bengamide B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bengamide B has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bengamide B?
The CAS number of Bengamide B is 104947-69-5.
What is the molecular formula of Bengamide B?
The molecular formula of Bengamide B is C32H58N2O8.
What is the molecular weight of Bengamide B?
The molecular weight of Bengamide B is 598.42 g/mol.
Where can I buy Bengamide B?
You can request a quote for Bengamide B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bengamide B?
Yes, KEHONG BIO provides custom synthesis services for Bengamide B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.