本加酰胺B
TL;DR: 本加酰胺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.
本加酰胺B
[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
本加酰胺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 本加酰胺B
Property Insights of 本加酰胺B
The XLogP value of 6.0 indicates that 本加酰胺B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting 本加酰胺B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 本加酰胺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 本加酰胺B?
The CAS number of 本加酰胺B is 104947-69-5.
What is the molecular formula of 本加酰胺B?
The molecular formula of 本加酰胺B is C32H58N2O8.
What is the molecular weight of 本加酰胺B?
The molecular weight of 本加酰胺B is 598.42 g/mol.
Where can I buy 本加酰胺B?
You can request a quote for 本加酰胺B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 本加酰胺B?
Yes, KEHONG BIO provides custom synthesis services for 本加酰胺B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.