Aucubigenin
TL;DR: Aucubigenin (CAS 73097-14-0) is a chemical compound with molecular formula C9H12O4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol
Also Known As: Aucubigenin, Aucubin aglycon, Aucubigenin (Aucubin aglycon), (1r,4ar,5s,7as)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol, Cyclopenta(c)pyran-1,5-diol, 1,4a,5,7a-tetrahydro-7-(hydroxymethyl)-, (1R-(1alpha,4aalpha,5alpha,7aalpha))-
| Molecular Formula | C9H12O4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.07356 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 73097-14-0 |
|---|---|
| SMILES | C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O |
| InChIKey | BACWCXKATFIVFS-JQCXWYLXSA-N |
Product Overview
Aucubigenin (CAS 73097-14-0), with molecular formula C9H12O4 and molecular weight 184.07 g/mol. IUPAC: (1R,4aR,5S,7aS)-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1,5-diol.
Chemical Property Profile of Aucubigenin
Property Insights of Aucubigenin
The XLogP value of -1.4 indicates that Aucubigenin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Aucubigenin. Following Lipinski's Rule of Five, Aucubigenin has 3 hydrogen bond donor(s) and 4 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 Aucubigenin?
The CAS number of Aucubigenin is 73097-14-0.
What is the molecular formula of Aucubigenin?
The molecular formula of Aucubigenin is C9H12O4.
What is the molecular weight of Aucubigenin?
The molecular weight of Aucubigenin is 184.07 g/mol.
Where can I buy Aucubigenin?
You can request a quote for Aucubigenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aucubigenin?
Yes, KEHONG BIO provides custom synthesis services for Aucubigenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.