Broussonetine A
TL;DR: Broussonetine A (CAS 173220-07-0) is a chemical compound with molecular formula C24H45NO10 and molecular weight 507.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-4-one
Also Known As: Broussonetine A, 1,2-Epoxyundecane, 1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-4-one, 1-Hydroxy-13-((3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pyrrolidin-2-yl)tridecan-4-one, 4-Hydroxy-5-(hydroxymethyl)-2-(13-hydroxy-10-oxotridecyl)pyrrolidin-3-yl hexopyranoside
| Molecular Formula | C24H45NO10 |
|---|---|
| Molecular Weight | 507.30 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 17 |
| Exact Mass | 507.30435 |
| Heavy Atoms | 35 |
| Complexity | 597.0 |
Chemical Identifiers
| CAS Number | 173220-07-0 |
|---|---|
| SMILES | C(CCCCC1[C@H]([C@H]([C@H](N1)CO)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CCCCC(=O)CCCO |
| InChIKey | LYIJINGICVFWEP-OWASOCSESA-N |
Product Overview
Broussonetine A (CAS 173220-07-0), with molecular formula C24H45NO10 and molecular weight 507.30 g/mol. IUPAC: 1-hydroxy-13-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyrrolidin-2-yl]tridecan-4-one.
Chemical Property Profile of Broussonetine A
Property Insights of Broussonetine A
The XLogP value of -0.2 indicates that Broussonetine A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Broussonetine A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Broussonetine A has 8 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Broussonetine A?
The CAS number of Broussonetine A is 173220-07-0.
What is the molecular formula of Broussonetine A?
The molecular formula of Broussonetine A is C24H45NO10.
What is the molecular weight of Broussonetine A?
The molecular weight of Broussonetine A is 507.30 g/mol.
Where can I buy Broussonetine A?
You can request a quote for Broussonetine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Broussonetine A?
Yes, KEHONG BIO provides custom synthesis services for Broussonetine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.