Oreskaurin A
TL;DR: Oreskaurin A (CAS 720666-97-7) is a chemical compound with molecular formula C22H28O8 and molecular weight 420.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro[1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-1-yl] acetate
Also Known As: Oreskaurin A, ((1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro(1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo(7.2.1.01,6)dodecane)-1-yl) acetate, [(1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro[1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-1-yl] acetate, RefChem:168453, InChI=1/C22H28O8/c1-10-12-6-13(24)15-21(7-12,17(10)26)19(27)29-9-22(15)14(25)4-5-20(3)8-28-18(16(20)22)30-11(2)23/h12-16,18,24-25H,1,4-9H2,2-3H3/t12-,13-,14-,15-,16-,18-,20+,21+,22+/m1/s
| Molecular Formula | C22H28O8 |
|---|---|
| Molecular Weight | 420.18 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.1784 |
| Heavy Atoms | 30 |
| Complexity | 852.0 |
Chemical Identifiers
| CAS Number | 720666-97-7 |
|---|---|
| SMILES | CC(=O)O[C@@H]1[C@@H]2[C@@](CC[C@H]([C@]23COC(=O)[C@]45[C@H]3[C@@H](C[C@H](C4)C(=C)C5=O)O)O)(CO1)C |
| InChIKey | XESCNAZYJNKEGK-WSNWWDQLSA-N |
Product Overview
Oreskaurin A (CAS 720666-97-7), with molecular formula C22H28O8 and molecular weight 420.18 g/mol. IUPAC: [(1R,1'S,3aR,6R,6'S,7S,7'R,7aR,9'S)-6,7'-dihydroxy-3a-methyl-10'-methylidene-2',11'-dioxospiro[1,3,4,5,6,7a-hexahydro-2-benzofuran-7,5'-3-oxatricyclo[7.2.1.01,6]dodecane]-1-yl] acetate.
Chemical Property Profile of Oreskaurin A
Property Insights of Oreskaurin A
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oreskaurin A. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Oreskaurin A. Following Lipinski's Rule of Five, Oreskaurin A has 2 hydrogen bond donor(s) and 8 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 Oreskaurin A?
The CAS number of Oreskaurin A is 720666-97-7.
What is the molecular formula of Oreskaurin A?
The molecular formula of Oreskaurin A is C22H28O8.
What is the molecular weight of Oreskaurin A?
The molecular weight of Oreskaurin A is 420.18 g/mol.
Where can I buy Oreskaurin A?
You can request a quote for Oreskaurin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oreskaurin A?
Yes, KEHONG BIO provides custom synthesis services for Oreskaurin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.