AA 863
TL;DR: AA 863 (CAS 80809-95-6) is a chemical compound with molecular formula C21H26O5 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
AA 863
2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
Also Known As: 2,5-Cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-methyl-, 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione,2-(12-hydroxy-5,10-dodecadiyn-1-yl)-5,6-dimethoxy-3-methyl-, 2,3-dimethoxy-5-methyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone, 2-(12-HYDROXYDODECA-5,10-DIYN-1-YL)-5,6-DIMETHOXY-3-METHYLCYCLOHEXA-2,5-DIENE-1,4-DIONE
| Molecular Formula | C21H26O5 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.178 |
| Heavy Atoms | 26 |
| Complexity | 727.0 |
Chemical Identifiers
| CAS Number | 80809-95-6 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCC#CCCCC#CCO |
| InChIKey | XZNSTIQKLTYQRE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AA 863 (CAS 80809-95-6), with molecular formula C21H26O5 and molecular weight 358.18 g/mol. IUPAC: 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of AA 863
Property Insights of AA 863
The XLogP value of 3.5 indicates that AA 863 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AA 863. Following Lipinski's Rule of Five, AA 863 has 1 hydrogen bond donor(s) and 5 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 AA 863?
The CAS number of AA 863 is 80809-95-6.
What is the molecular formula of AA 863?
The molecular formula of AA 863 is C21H26O5.
What is the molecular weight of AA 863?
The molecular weight of AA 863 is 358.18 g/mol.
Where can I buy AA 863?
You can request a quote for AA 863 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AA 863?
Yes, KEHONG BIO provides custom synthesis services for AA 863 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.