Australifungin
TL;DR: Australifungin (CAS 155468-85-2) is a chemical compound with molecular formula C23H36O6 and molecular weight 408.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
Also Known As: Australifungin, (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one, (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(2Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one, (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-((2Z)-3-hydroxyprop-2-enoyl)-4,7-dimethyl-3-((2R)-octan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one, (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-((Z)-3-hydroxyprop-2-enoyl)-4,7-dimethyl-3-((2R)-octan-2-yl)-4a,5,6,7,8,8a-hexahydronaphthalen-1-one
| Molecular Formula | C23H36O6 |
|---|---|
| Molecular Weight | 408.25 g/mol |
| LogP | 3.6288 |
| Topological Polar Surface Area | 115.06 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 408.2512 |
| Heavy Atoms | 29 |
| Complexity | 680.8555 |
Chemical Identifiers
| CAS Number | 155468-85-2 |
|---|---|
| SMILES | CCCCCC[C@@H](C)C1=C(C(=O)[C@H]2[C@H]([C@]1(C)C(=O)/C=C\O)[C@H](C[C@H]([C@H]2O)C)O)O |
Product Overview
Australifungin (CAS 155468-85-2), with molecular formula C23H36O6 and molecular weight 408.25 g/mol. IUPAC: (4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one.
Chemical Property Profile of Australifungin
Property Insights of Australifungin
The XLogP value of 3.6288 indicates that Australifungin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Australifungin. Following Lipinski's Rule of Five, Australifungin has 4 hydrogen bond donor(s) and 6 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 Australifungin?
The CAS number of Australifungin is 155468-85-2.
What is the molecular formula of Australifungin?
The molecular formula of Australifungin is C23H36O6.
What is the molecular weight of Australifungin?
The molecular weight of Australifungin is 408.25 g/mol.
Where can I buy Australifungin?
You can request a quote for Australifungin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Australifungin?
Yes, KEHONG BIO provides custom synthesis services for Australifungin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.