Austalide J
TL;DR: Austalide J (CAS 87833-51-0) is a chemical compound with molecular formula C25H32O7 and molecular weight 444.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R,14R,20S)-20-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione
Also Known As: Austalide J, MEGxm0_000169, ACon0_000981, 5H-Furo(3,4-i)oxepino(4,3-a)xanthene-3,12-dione,1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5a-hydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-, (5aS,7aS,14aR,14bR)-, (1S,13R,14R,20S)-20-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione
| Molecular Formula | C25H32O7 |
|---|---|
| Molecular Weight | 444.21 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 444.2148 |
| Heavy Atoms | 32 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 87833-51-0 |
|---|---|
| SMILES | CC1=C2COC(=O)C2=C(C3=C1O[C@]4(CC[C@@]5([C@@]([C@H]4C3)(CCC(=O)OC5(C)C)C)O)C)OC |
| InChIKey | GEOMINBWFXSCOW-OCFMFRIESA-N |
Product Overview
Austalide J (CAS 87833-51-0), with molecular formula C25H32O7 and molecular weight 444.21 g/mol. IUPAC: (1S,13R,14R,20S)-20-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.03,11.05,9.014,20]docosa-3(11),4,9-triene-8,17-dione.
Chemical Property Profile of Austalide J
Property Insights of Austalide J
The XLogP value of 3.1 indicates that Austalide J is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Austalide J. Following Lipinski's Rule of Five, Austalide J has 1 hydrogen bond donor(s) and 7 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 J?
The CAS number of Austalide J is 87833-51-0.
What is the molecular formula of Austalide J?
The molecular formula of Austalide J is C25H32O7.
What is the molecular weight of Austalide J?
The molecular weight of Austalide J is 444.21 g/mol.
Where can I buy Austalide J?
You can request a quote for Austalide J directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Austalide J?
Yes, KEHONG BIO provides custom synthesis services for Austalide J and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.