Isonovobiocin
TL;DR: Isonovobiocin (CAS 10486-26-7) is a chemical compound with molecular formula C18H28O2 and molecular weight 276.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) propanoate
Also Known As: Isonovobiocin, 1,2,3,3a,4,5,6,8a-Octahydro-2-isopropylidene-4,8-dimethylazulen-6-yl propionate, 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, propanoate, (4,8-dimethyl-2-propan-2-ylidene-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl) propanoate, 6-Azulenol, 1,2,3,3a,4,5,6,8a-octahydro-4,8-dimethyl-2-(1-methylethylidene)-, 6-propanoate
Technical Specifications
| Molecular Formula | C18H28O2 |
| Molecular Weight | 276.20892 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.20892 Da |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
| SMILES | CCC(=O)OC1CC(C2CC(=C(C)C)CC2C(=C1)C)C |
| InChIKey | ZXXZNGHSKXHZPG-UHFFFAOYSA-N |
Chemical Property Profile of Isonovobiocin
Property Insights of Isonovobiocin
The XLogP value of 4.0 indicates that Isonovobiocin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isonovobiocin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isonovobiocin has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isonovobiocin?
The CAS number of Isonovobiocin is 10486-26-7.
What is the molecular formula of Isonovobiocin?
The molecular formula of Isonovobiocin is C18H28O2.
What is the molecular weight of Isonovobiocin?
The molecular weight of Isonovobiocin is 276.20892 g/mol.
Where can I buy Isonovobiocin?
You can request a quote for Isonovobiocin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isonovobiocin?
Yes, CoreyChem provides custom synthesis services for Isonovobiocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.