Aporphine-10,11-diol, diacetate
TL;DR: Aporphine-10,11-diol, diacetate (CAS 18720-24-6) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(6aS)-11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate
Also Known As: Apomorphine diacetate, APORPHINE-10,11-DIOL, DIACETATE, 4H-Dibenzo(de,g)quinoline-10,11-diol, 5,6,6a,7-tetrahydro-6-methyl-, diacetate (ester), 5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diol diacetate (ester), (6aS)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl diacetate
Technical Specifications
| Molecular Formula | C21H21NO4 |
| Molecular Weight | 351.14706 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.14706 Da |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
| SMILES | CC(=O)OC1=C(C2=C(C[C@H]3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)C |
| InChIKey | PJAGGJPKGNYFJH-KRWDZBQOSA-N |
Chemical Property Profile of Aporphine-10,11-diol, diacetate
Property Insights of Aporphine-10,11-diol, diacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aporphine-10,11-diol, diacetate. With a topological polar surface area (TPSA) of 55.8 Ų, Aporphine-10,11-diol, diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aporphine-10,11-diol, diacetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Aporphine-10,11-diol, diacetate?
The CAS number of Aporphine-10,11-diol, diacetate is 18720-24-6.
What is the molecular formula of Aporphine-10,11-diol, diacetate?
The molecular formula of Aporphine-10,11-diol, diacetate is C21H21NO4.
What is the molecular weight of Aporphine-10,11-diol, diacetate?
The molecular weight of Aporphine-10,11-diol, diacetate is 351.14706 g/mol.
Where can I buy Aporphine-10,11-diol, diacetate?
You can request a quote for Aporphine-10,11-diol, diacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aporphine-10,11-diol, diacetate?
Yes, CoreyChem provides custom synthesis services for Aporphine-10,11-diol, diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.