AILANTHINONE
TL;DR: AILANTHINONE (CAS 53683-73-1) is a chemical compound with molecular formula C25H34O9 and molecular weight 478.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate
Also Known As: AILANTHINONE, (4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate, 1,11,12-Trihydroxy-2,16-dioxo-11,20-epoxypicras-3-en-15-yl 2-methylbutanoate, (1beta,11beta,12alpha,15beta)-11,20-Epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)picras-3-ene-2,16-dione, [(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S)-4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-methylbutanoate
| Molecular Formula | C25H34O9 |
|---|---|
| Molecular Weight | 478.22 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.22028 |
| Heavy Atoms | 34 |
| Complexity | 975.0 |
Chemical Identifiers
| CAS Number | 53683-73-1 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C |
| InChIKey | GCIFFNDSOLTCAI-UHFFFAOYSA-N |
Product Overview
AILANTHINONE (CAS 53683-73-1), with molecular formula C25H34O9 and molecular weight 478.22 g/mol. IUPAC: (4,5,17-trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate.
Chemical Property Profile of AILANTHINONE
Property Insights of AILANTHINONE
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AILANTHINONE. The TPSA of 140.0 Ų indicates high polarity, suggesting AILANTHINONE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AILANTHINONE has 3 hydrogen bond donor(s) and 9 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 AILANTHINONE?
The CAS number of AILANTHINONE is 53683-73-1.
What is the molecular formula of AILANTHINONE?
The molecular formula of AILANTHINONE is C25H34O9.
What is the molecular weight of AILANTHINONE?
The molecular weight of AILANTHINONE is 478.22 g/mol.
Where can I buy AILANTHINONE?
You can request a quote for AILANTHINONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AILANTHINONE?
Yes, KEHONG BIO provides custom synthesis services for AILANTHINONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.