Pseurotin A
TL;DR: Pseurotin A (CAS 58523-30-1) is a chemical compound with molecular formula C22H25NO8 and molecular weight 431.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione
Also Known As: Pseurotin A, Pseurotin, 8-benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, (5S,8S,9R)-8-benzoyl-2-[(Z,1S,2S)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione, 2-benzoyl-8-(1,2-dihydroxyhex-3-enyl)-1-hydroxy-2-methoxy-7-methyl-9-oxa-3-azaspiro[4.4]non-7-ene-4,6-dione
| Molecular Formula | C22H25NO8 |
|---|---|
| Molecular Weight | 431.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.15802 |
| Heavy Atoms | 31 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 58523-30-1 |
|---|---|
| SMILES | CCC=CC(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O |
| InChIKey | SLYDIPAXCVVRNY-UHFFFAOYSA-N |
Product Overview
Pseurotin A (CAS 58523-30-1), with molecular formula C22H25NO8 and molecular weight 431.16 g/mol. IUPAC: 8-benzoyl-2-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione.
Chemical Property Profile of Pseurotin A
Property Insights of Pseurotin A
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pseurotin A. The TPSA of 142.0 Ų indicates high polarity, suggesting Pseurotin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pseurotin A has 4 hydrogen bond donor(s) and 8 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 Pseurotin A?
The CAS number of Pseurotin A is 58523-30-1.
What is the molecular formula of Pseurotin A?
The molecular formula of Pseurotin A is C22H25NO8.
What is the molecular weight of Pseurotin A?
The molecular weight of Pseurotin A is 431.16 g/mol.
Where can I buy Pseurotin A?
You can request a quote for Pseurotin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pseurotin A?
Yes, KEHONG BIO provides custom synthesis services for Pseurotin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.