Dehydroailanthinone
TL;DR: Dehydroailanthinone (CAS 53683-70-8) is a chemical compound with molecular formula C25H32O9 and molecular weight 476.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4S,5R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-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: Dehydroailanthinone, Ailanthinone, dehydro-, [(4S,5R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-methylbutanoate, Picrasa-3,13(21)-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-, (1beta,11beta,12alpha,15beta)-, Picrasa-3,13[21]-diene-2,16-dione, 11,20-epoxy-1,11,12-trihydroxy-15-(2-methyl-1-oxobutoxy)-
| Molecular Formula | C25H32O9 |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 0.6541 |
| Topological Polar Surface Area | 139.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.20462 |
| Heavy Atoms | 34 |
| Complexity | 1017.8565 |
Chemical Identifiers
| CAS Number | 53683-70-8 |
|---|---|
| SMILES | CCC(C)C(=O)O[C@@H]1[C@H]2C(=C)[C@H]([C@@]3([C@H]4C2(CO3)[C@@H](C[C@@H]5[C@@]4([C@@H](C(=O)C=C5C)O)C)OC1=O)O)O |
Product Overview
Dehydroailanthinone (CAS 53683-70-8), with molecular formula C25H32O9 and molecular weight 476.20 g/mol. IUPAC: [(4S,5R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-trihydroxy-14,18-dimethyl-6-methylidene-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 Dehydroailanthinone
Property Insights of Dehydroailanthinone
The XLogP value of 0.6541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroailanthinone. The TPSA of 139.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroailanthinone. Following Lipinski's Rule of Five, Dehydroailanthinone 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 Dehydroailanthinone?
The CAS number of Dehydroailanthinone is 53683-70-8.
What is the molecular formula of Dehydroailanthinone?
The molecular formula of Dehydroailanthinone is C25H32O9.
What is the molecular weight of Dehydroailanthinone?
The molecular weight of Dehydroailanthinone is 476.20 g/mol.
Where can I buy Dehydroailanthinone?
You can request a quote for Dehydroailanthinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroailanthinone?
Yes, KEHONG BIO provides custom synthesis services for Dehydroailanthinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.