Austalide K
TL;DR: Austalide K (CAS 87833-53-2) is a chemical compound with molecular formula C25H32O5 and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione
Also Known As: Austalide K, 2H-Benzo(a)furo(3,4-i)xanthene-3,11-dione, 1,4,4a,5,6,6a,9,13,13a,13b-decahydro-12-methoxy-4,4,6a,8,13b-pentamethyl-, (4aR,6aS,13aR,13bS)-, (1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo(11.8.0.03,11.05,9.014,19)henicosa-3(11),4,9-triene-8,17-dione, (1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione, (4aR,6aS,13aR,13bS)-1,4,4a,5,6,6a,9,13,13a,13b-Decahydro-12-methoxy-4,4,6a,8,13b-pentamethyl-2H-benzo(a)furo(3,4-i)xanthene-3,11-dione
| Molecular Formula | C25H32O5 |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 412.22498 |
| Heavy Atoms | 30 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 87833-53-2 |
|---|---|
| SMILES | CC1=C2COC(=O)C2=C(C3=C1O[C@]4(CC[C@@H]5[C@@]([C@H]4C3)(CCC(=O)C5(C)C)C)C)OC |
| InChIKey | JCUWKPURUZEBFJ-MZXZQTHYSA-N |
Product Overview
Austalide K (CAS 87833-53-2), with molecular formula C25H32O5 and molecular weight 412.22 g/mol. IUPAC: (1S,13R,14S,19R)-10-methoxy-1,4,14,18,18-pentamethyl-2,7-dioxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3(11),4,9-triene-8,17-dione.
Chemical Property Profile of Austalide K
Property Insights of Austalide K
The XLogP value of 4.3 indicates that Austalide K is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Austalide K. Following Lipinski's Rule of Five, Austalide K has 0 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 Austalide K?
The CAS number of Austalide K is 87833-53-2.
What is the molecular formula of Austalide K?
The molecular formula of Austalide K is C25H32O5.
What is the molecular weight of Austalide K?
The molecular weight of Austalide K is 412.22 g/mol.
Where can I buy Austalide K?
You can request a quote for Austalide K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austalide K?
Yes, KEHONG BIO provides custom synthesis services for Austalide K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.