Neoquassin
TL;DR: Neoquassin (CAS 76-77-7) is a chemical compound with molecular formula C22H30O6 and molecular weight 390.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione
Also Known As: Neoquassin, Neoquassine, Nigakihemiacetal B, Simalikahemiacetal A, NEOQUASSIN [MI]
| Molecular Formula | C22H30O6 |
|---|---|
| Molecular Weight | 390.20 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 390.20422 |
| Heavy Atoms | 28 |
| Complexity | 797.0 |
Chemical Identifiers
| CAS Number | 76-77-7 |
|---|---|
| SMILES | C[C@@H]1C=C(C(=O)[C@]2([C@H]1C[C@@H]3[C@@]4([C@@H]2C(=O)C(=C([C@@H]4CC(O3)O)C)OC)C)C)OC |
| InChIKey | BDQNCUODBJZKIY-NUPPOKJBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neoquassin (CAS 76-77-7), with molecular formula C22H30O6 and molecular weight 390.20 g/mol. IUPAC: (1S,2S,6S,7S,9R,13R,17S)-11-hydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-3,16-dione.
Chemical Property Profile of Neoquassin
Property Insights of Neoquassin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neoquassin. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Neoquassin. Following Lipinski's Rule of Five, Neoquassin has 1 hydrogen bond donor(s) and 6 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 Neoquassin?
The CAS number of Neoquassin is 76-77-7.
What is the molecular formula of Neoquassin?
The molecular formula of Neoquassin is C22H30O6.
What is the molecular weight of Neoquassin?
The molecular weight of Neoquassin is 390.20 g/mol.
Where can I buy Neoquassin?
You can request a quote for Neoquassin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoquassin?
Yes, KEHONG BIO provides custom synthesis services for Neoquassin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.