Diisobutyrylapomorphine
TL;DR: Diisobutyrylapomorphine (CAS 42337-29-1) is a chemical compound with molecular formula C25H29NO4 and molecular weight 407.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6aR)-6-methyl-11-(2-methylpropanoyloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 2-methylpropanoate
Also Known As: Diisobutyrylapomorphine, (R)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo(de,g)quinoline-10,11-diyl 2-methylpropionate, Propanoic acid, 2-methyl-, 5,6,6a,7-tetrahydro-6-methyl-4H-dibenzo(de,g)quinoline-10,11-diyl ester, (R)-, [(6aR)-6-methyl-11-(2-methylpropanoyloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 2-methylpropanoate, (6aR)-6-Methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diyl bis(2-methylpropanoate)
| Molecular Formula | C25H29NO4 |
|---|---|
| Molecular Weight | 407.21 g/mol |
| LogP | 4.5615 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.20966 |
| Heavy Atoms | 30 |
| Complexity | 1008.4485 |
Chemical Identifiers
| CAS Number | 42337-29-1 |
|---|---|
| SMILES | CC(C)C(=O)OC1=C(C2=C(C[C@@H]3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)C(C)C |
Product Overview
Diisobutyrylapomorphine (CAS 42337-29-1), with molecular formula C25H29NO4 and molecular weight 407.21 g/mol. IUPAC: [(6aR)-6-methyl-11-(2-methylpropanoyloxy)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] 2-methylpropanoate.
Chemical Property Profile of Diisobutyrylapomorphine
Property Insights of Diisobutyrylapomorphine
The XLogP value of 4.5615 indicates that Diisobutyrylapomorphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.84 Ų, Diisobutyrylapomorphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diisobutyrylapomorphine 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 Diisobutyrylapomorphine?
The CAS number of Diisobutyrylapomorphine is 42337-29-1.
What is the molecular formula of Diisobutyrylapomorphine?
The molecular formula of Diisobutyrylapomorphine is C25H29NO4.
What is the molecular weight of Diisobutyrylapomorphine?
The molecular weight of Diisobutyrylapomorphine is 407.21 g/mol.
Where can I buy Diisobutyrylapomorphine?
You can request a quote for Diisobutyrylapomorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diisobutyrylapomorphine?
Yes, KEHONG BIO provides custom synthesis services for Diisobutyrylapomorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.