Broussonetine J
TL;DR: Broussonetine J (CAS 215117-17-2) is a chemical compound with molecular formula C22H40N2O7 and molecular weight 444.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2R)-2-[(1S,2S)-8-[(3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,2-dihydroxyoctyl]piperidin-1-yl]ethanone
Also Known As: Broussonetine J, 1-[(2R)-2-[(1S,2S)-8-[(3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,2-dihydroxyoctyl]piperidin-1-yl]ethanone, 1-[(2R)-2-[(1S,2S)-8-[(3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,2-dihydroxy-octyl]-1-piperidyl]ethanone, 2-Piperidineethanol, 1-acetyl-alpha-(6-((2R,3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl)hexyl)-beta-hydroxy-, (alphaS,betaS,2R)-, 1-((2R)-2-((1S,2S)-8-((2R,3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl)-1,2-dihydroxyoctyl)piperidin-1-yl)ethanone
| Molecular Formula | C22H40N2O7 |
|---|---|
| Molecular Weight | 444.28 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 444.28354 |
| Heavy Atoms | 31 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 215117-17-2 |
|---|---|
| SMILES | CC(=O)N1CCCC[C@@H]1[C@@H]([C@H](CCCCCCC2[C@H]([C@@H]([C@H](N2C(=O)C)CO)O)O)O)O |
| InChIKey | YIEPZDPKKNJALX-BNAIZAOKSA-N |
Product Overview
Broussonetine J (CAS 215117-17-2), with molecular formula C22H40N2O7 and molecular weight 444.28 g/mol. IUPAC: 1-[(2R)-2-[(1S,2S)-8-[(3R,4R,5R)-1-acetyl-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,2-dihydroxyoctyl]piperidin-1-yl]ethanone.
Chemical Property Profile of Broussonetine J
Property Insights of Broussonetine J
The XLogP value of -0.1 indicates that Broussonetine J is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.0 Ų indicates high polarity, suggesting Broussonetine J may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Broussonetine J has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Broussonetine J?
The CAS number of Broussonetine J is 215117-17-2.
What is the molecular formula of Broussonetine J?
The molecular formula of Broussonetine J is C22H40N2O7.
What is the molecular weight of Broussonetine J?
The molecular weight of Broussonetine J is 444.28 g/mol.
Where can I buy Broussonetine J?
You can request a quote for Broussonetine J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Broussonetine J?
Yes, KEHONG BIO provides custom synthesis services for Broussonetine J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.