Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate
TL;DR: Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate (CAS 61389-42-2) is a chemical compound with molecular formula C27H31NO12 and molecular weight 561.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR)-11-(2-methoxyacetyl)oxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 2-methoxyacetate;(2R,3R)-2,3-dihydroxybutanedioic acid
Also Known As: Aporphine-10,11-diyl methoxyacetate tartrate, ACETIC ACID, METHOXY-, APORPHINE-10,11-DIYL ESTER, TARTRATE, (2R,3R)-2,3-Dihydroxybutanedioic acid--(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl bis(methoxyacetate) (1/1), 2,3-Dihydroxybutanedioic acid--6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl bis(methoxyacetate) (1/1), RefChem:316651
| Molecular Formula | C27H31NO12 |
|---|---|
| Molecular Weight | 561.18 g/mol |
| LogP | 0.42 |
| Topological Polar Surface Area | 189.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 561.18463 |
| Heavy Atoms | 40 |
| Complexity | 761.0 |
Chemical Identifiers
| CAS Number | 61389-42-2 |
|---|---|
| SMILES | CN1CCC2=C3[C@H]1CC4=C(C3=CC=C2)C(=C(C=C4)OC(=O)COC)OC(=O)COC.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O |
| InChIKey | KSAZWULCPBJGKG-MYNXEKQJSA-N |
Product Overview
Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate (CAS 61389-42-2), with molecular formula C27H31NO12 and molecular weight 561.18 g/mol. IUPAC: [(6aR)-11-(2-methoxyacetyl)oxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 2-methoxyacetate;(2R,3R)-2,3-dihydroxybutanedioic acid.
Chemical Property Profile of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate
Property Insights of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate
The XLogP value of 0.42 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate. The TPSA of 189.0 Ų indicates high polarity, suggesting Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate?
The CAS number of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate is 61389-42-2.
What is the molecular formula of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate?
The molecular formula of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate is C27H31NO12.
What is the molecular weight of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate?
The molecular weight of Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate is 561.18 g/mol.
Where can I buy Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate?
You can request a quote for Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, methoxy-, aporphine-10,11-diyl ester, tartrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.