6alpha-Senecioyloxychaparrin
TL;DR: 6alpha-Senecioyloxychaparrin (CAS 82151-95-9) 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.
[(1S,4R,5R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate
Also Known As: 6-Asoc, 6alpha-Senecioyloxychaparrin, 6 Alpha-senecioyloxychaparrin, [(1S,4R,5R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate, Picras-3-en-16-one, 11,20-epoxy-1,2,11,12-tetrahydroxy-6-((3-methyl-1-oxo-2-butenyl)oxy)-, (1beta,2alpha,6alpha,11beta,12alpha)-
| Molecular Formula | C25H34O9 |
|---|---|
| Molecular Weight | 478.22 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 478.22028 |
| Heavy Atoms | 34 |
| Complexity | 985.0 |
Chemical Identifiers
| CAS Number | 82151-95-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@@]([C@@H]1O)([C@@H]4[C@@]5([C@@H]([C@H]3OC(=O)C=C(C)C)C(=C[C@@H]([C@H]5O)O)C)C)O |
| InChIKey | GHYBVLUUZDLXRW-ASJGUVDWSA-N |
Product Overview
6alpha-Senecioyloxychaparrin (CAS 82151-95-9), with molecular formula C25H34O9 and molecular weight 478.22 g/mol. IUPAC: [(1S,4R,5R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,5,16,17-tetrahydroxy-6,14,18-trimethyl-9-oxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate.
Chemical Property Profile of 6alpha-Senecioyloxychaparrin
Property Insights of 6alpha-Senecioyloxychaparrin
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6alpha-Senecioyloxychaparrin. The TPSA of 143.0 Ų indicates high polarity, suggesting 6alpha-Senecioyloxychaparrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6alpha-Senecioyloxychaparrin has 4 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 6alpha-Senecioyloxychaparrin?
The CAS number of 6alpha-Senecioyloxychaparrin is 82151-95-9.
What is the molecular formula of 6alpha-Senecioyloxychaparrin?
The molecular formula of 6alpha-Senecioyloxychaparrin is C25H34O9.
What is the molecular weight of 6alpha-Senecioyloxychaparrin?
The molecular weight of 6alpha-Senecioyloxychaparrin is 478.22 g/mol.
Where can I buy 6alpha-Senecioyloxychaparrin?
You can request a quote for 6alpha-Senecioyloxychaparrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6alpha-Senecioyloxychaparrin?
Yes, KEHONG BIO provides custom synthesis services for 6alpha-Senecioyloxychaparrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.