Dibutyrylapomorphine
TL;DR: Dibutyrylapomorphine (CAS 5417-98-1) 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)-11-butanoyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] butanoate
Also Known As: Dibutyrylapomorphine, Di-n-butyryl-apomorphin, KST-1A5659, KST-1A5660, (6ar)-6-methyl-5,6,6a,7-tetrahydro-4h-dibenzo[de,g]quinoline-10,11-diyl dibutanoate
| Molecular Formula | C25H29NO4 |
|---|---|
| Molecular Weight | 407.21 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 407.20966 |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 5417-98-1 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C2=C(C[C@@H]3C4=C(CCN3C)C=CC=C42)C=C1)OC(=O)CCC |
| InChIKey | FHXAWNCBUXBJHB-LJQANCHMSA-N |
Product Overview
Dibutyrylapomorphine (CAS 5417-98-1), with molecular formula C25H29NO4 and molecular weight 407.21 g/mol. IUPAC: [(6aR)-11-butanoyloxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-10-yl] butanoate.
Chemical Property Profile of Dibutyrylapomorphine
Property Insights of Dibutyrylapomorphine
The XLogP value of 4.2 indicates that Dibutyrylapomorphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Dibutyrylapomorphine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyrylapomorphine 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 Dibutyrylapomorphine?
The CAS number of Dibutyrylapomorphine is 5417-98-1.
What is the molecular formula of Dibutyrylapomorphine?
The molecular formula of Dibutyrylapomorphine is C25H29NO4.
What is the molecular weight of Dibutyrylapomorphine?
The molecular weight of Dibutyrylapomorphine is 407.21 g/mol.
Where can I buy Dibutyrylapomorphine?
You can request a quote for Dibutyrylapomorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyrylapomorphine?
Yes, KEHONG BIO provides custom synthesis services for Dibutyrylapomorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.