Apomorphine Diacetate
TL;DR: Apomorphine Diacetate (CAS 6191-56-6) is a chemical compound with molecular formula C21H21NO4 and molecular weight 351.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR)-11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate
Also Known As: Apomorphine diacetate, Diacetylapomorphine, APOMORPHINE DIACETATE (ESTER), APOMORPHINE DIACETATE (ESTER) [MI], 6a-beta-Apomorphine-10,11-diol, diacetate (ester)
| Molecular Formula | C21H21NO4 |
|---|---|
| Molecular Weight | 351.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.14706 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 6191-56-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C[C@@H]3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)C |
| InChIKey | PJAGGJPKGNYFJH-QGZVFWFLSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Apomorphine Diacetate (CAS 6191-56-6), with molecular formula C21H21NO4 and molecular weight 351.15 g/mol. IUPAC: [(6aR)-11-acetyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] acetate.
Chemical Property Profile of Apomorphine Diacetate
Property Insights of Apomorphine Diacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apomorphine Diacetate. With a topological polar surface area (TPSA) of 55.8 Ų, Apomorphine Diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apomorphine 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
Frequently Asked Questions
What is the CAS number of Apomorphine Diacetate?
The CAS number of Apomorphine Diacetate is 6191-56-6.
What is the molecular formula of Apomorphine Diacetate?
The molecular formula of Apomorphine Diacetate is C21H21NO4.
What is the molecular weight of Apomorphine Diacetate?
The molecular weight of Apomorphine Diacetate is 351.15 g/mol.
Where can I buy Apomorphine Diacetate?
You can request a quote for Apomorphine Diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apomorphine Diacetate?
Yes, KEHONG BIO provides custom synthesis services for Apomorphine Diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.