Aguerin A
TL;DR: Aguerin A (CAS 68370-46-7) is a chemical compound with molecular formula C19H24O5 and molecular weight 332.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8S,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate
Also Known As: Aguerin A, Azuleno[4, propanoic acid deriv., Azuleno[4,5-b]furan, propanoic acid deriv., [(8S,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate, ((8S,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno(4,5-b)furan-4-yl) 2-methylpropanoate
| Molecular Formula | C19H24O5 |
|---|---|
| Molecular Weight | 332.16 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.16238 |
| Heavy Atoms | 24 |
| Complexity | 632.0 |
Chemical Identifiers
| CAS Number | 68370-46-7 |
|---|---|
| SMILES | CC(C)C(=O)OC1CC(=C)C2C[C@@H](C(=C)C2[C@@H]3C1C(=C)C(=O)O3)O |
| InChIKey | KCMNJMYYSFJSAZ-XIZJWTTESA-N |
Product Overview
Aguerin A (CAS 68370-46-7), with molecular formula C19H24O5 and molecular weight 332.16 g/mol. IUPAC: [(8S,9bR)-8-hydroxy-3,6,9-trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylpropanoate.
Chemical Property Profile of Aguerin A
Property Insights of Aguerin A
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aguerin A. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Aguerin A. Following Lipinski's Rule of Five, Aguerin A has 1 hydrogen bond donor(s) and 5 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 Aguerin A?
The CAS number of Aguerin A is 68370-46-7.
What is the molecular formula of Aguerin A?
The molecular formula of Aguerin A is C19H24O5.
What is the molecular weight of Aguerin A?
The molecular weight of Aguerin A is 332.16 g/mol.
Where can I buy Aguerin A?
You can request a quote for Aguerin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aguerin A?
Yes, KEHONG BIO provides custom synthesis services for Aguerin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.