(+)-1beta-Hydroperoxyisonobiline
TL;DR: (+)-1beta-Hydroperoxyisonobiline (CAS 112899-60-2) is a chemical compound with molecular formula C20H26O7 and molecular weight 378.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
Also Known As: (+)-1beta-Hydroperoxyisonobiline, ( )-1beta-Hydroperoxyisonobiline, [(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate
| Molecular Formula | C20H26O7 |
|---|---|
| Molecular Weight | 378.17 g/mol |
| LogP | 2.4776 |
| Topological Polar Surface Area | 102.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.16785 |
| Heavy Atoms | 27 |
| Complexity | 703.1188 |
Chemical Identifiers
| CAS Number | 112899-60-2 |
|---|---|
| SMILES | C/C=C(\C)/C(=O)O[C@H]1CC(=C)[C@@H](C[C@@H](/C(=C\[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)OO |
Product Overview
(+)-1beta-Hydroperoxyisonobiline (CAS 112899-60-2), with molecular formula C20H26O7 and molecular weight 378.17 g/mol. IUPAC: [(3aR,4S,7R,9S,10Z,11aR)-7-hydroperoxy-9-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,9,11a-hexahydro-3aH-cyclodeca[b]furan-4-yl] (E)-2-methylbut-2-enoate.
Chemical Property Profile of (+)-1beta-Hydroperoxyisonobiline
Property Insights of (+)-1beta-Hydroperoxyisonobiline
The XLogP value of 2.4776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-1beta-Hydroperoxyisonobiline. The TPSA of 102.29 Ų falls within the moderate polarity range, balancing permeability and solubility for (+)-1beta-Hydroperoxyisonobiline. Following Lipinski's Rule of Five, (+)-1beta-Hydroperoxyisonobiline has 2 hydrogen bond donor(s) and 7 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 (+)-1beta-Hydroperoxyisonobiline?
The CAS number of (+)-1beta-Hydroperoxyisonobiline is 112899-60-2.
What is the molecular formula of (+)-1beta-Hydroperoxyisonobiline?
The molecular formula of (+)-1beta-Hydroperoxyisonobiline is C20H26O7.
What is the molecular weight of (+)-1beta-Hydroperoxyisonobiline?
The molecular weight of (+)-1beta-Hydroperoxyisonobiline is 378.17 g/mol.
Where can I buy (+)-1beta-Hydroperoxyisonobiline?
You can request a quote for (+)-1beta-Hydroperoxyisonobiline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-1beta-Hydroperoxyisonobiline?
Yes, KEHONG BIO provides custom synthesis services for (+)-1beta-Hydroperoxyisonobiline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.