12-Dehydro-6alpha-senecioyloxychaparrin
TL;DR: 12-Dehydro-6alpha-senecioyloxychaparrin (CAS 1038508-78-9) 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.
[(1S,4R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,16,17-trihydroxy-6,14,18-trimethyl-5,9-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate
Also Known As: 12-Dsoc, 12-Dehydro-6alpha-senecioyloxychaparrin, Chaparrin, 12-dehydro-6alpha-senecioyloxy-, [(1S,4R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,16,17-Trihydroxy-6,14,18-trimethyl-5,9-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-12-yl] 3-methylbut-2-enoate, 1,2,11-Trihydroxy-12,16-dioxo-11,20-epoxypicras-3-en-6-yl 3-methylbut-2-enoate
| Molecular Formula | C25H32O9 |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.20462 |
| Heavy Atoms | 34 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 1038508-78-9 |
|---|---|
| SMILES | C[C@@H]1[C@@H]2CC(=O)O[C@H]3[C@@]24CO[C@]([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)(C1=O)O |
| InChIKey | KVDUCPNVQRXURP-LDWFOVIJSA-N |
Product Overview
12-Dehydro-6alpha-senecioyloxychaparrin (CAS 1038508-78-9), with molecular formula C25H32O9 and molecular weight 476.20 g/mol. IUPAC: [(1S,4R,6R,7S,11S,12R,13S,16S,17S,18S,19R)-4,16,17-trihydroxy-6,14,18-trimethyl-5,9-dioxo-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 12-Dehydro-6alpha-senecioyloxychaparrin
Property Insights of 12-Dehydro-6alpha-senecioyloxychaparrin
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Dehydro-6alpha-senecioyloxychaparrin. The TPSA of 140.0 Ų indicates high polarity, suggesting 12-Dehydro-6alpha-senecioyloxychaparrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 12-Dehydro-6alpha-senecioyloxychaparrin 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 12-Dehydro-6alpha-senecioyloxychaparrin?
The CAS number of 12-Dehydro-6alpha-senecioyloxychaparrin is 1038508-78-9.
What is the molecular formula of 12-Dehydro-6alpha-senecioyloxychaparrin?
The molecular formula of 12-Dehydro-6alpha-senecioyloxychaparrin is C25H32O9.
What is the molecular weight of 12-Dehydro-6alpha-senecioyloxychaparrin?
The molecular weight of 12-Dehydro-6alpha-senecioyloxychaparrin is 476.20 g/mol.
Where can I buy 12-Dehydro-6alpha-senecioyloxychaparrin?
You can request a quote for 12-Dehydro-6alpha-senecioyloxychaparrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Dehydro-6alpha-senecioyloxychaparrin?
Yes, KEHONG BIO provides custom synthesis services for 12-Dehydro-6alpha-senecioyloxychaparrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.