3,6-Dibutanoylmorphine
TL;DR: 3,6-Dibutanoylmorphine (CAS 66641-03-0) is a chemical compound with molecular formula C25H31NO5 and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,7S,7aR,12bS)-9-butanoyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] butanoate
Also Known As: Dibutyrylmorphine, 3,6-Dibutanoylmorphine, Dibutanoylmorphine, Morphine 3,6-dibutyrate, [(4R,4aR,7S,7aR,12bS)-9-butanoyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] butanoate
| Molecular Formula | C25H31NO5 |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | 3.549 |
| Topological Polar Surface Area | 65.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.2202 |
| Heavy Atoms | 31 |
| Complexity | 940.0852 |
Chemical Identifiers
| CAS Number | 66641-03-0 |
|---|---|
| SMILES | CCCC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)CCC)CCN3C |
Product Overview
3,6-Dibutanoylmorphine (CAS 66641-03-0), with molecular formula C25H31NO5 and molecular weight 425.22 g/mol. IUPAC: [(4R,4aR,7S,7aR,12bS)-9-butanoyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] butanoate.
Chemical Property Profile of 3,6-Dibutanoylmorphine
Property Insights of 3,6-Dibutanoylmorphine
The XLogP value of 3.549 indicates that 3,6-Dibutanoylmorphine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,6-Dibutanoylmorphine. Following Lipinski's Rule of Five, 3,6-Dibutanoylmorphine has 0 hydrogen bond donor(s) and 6 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 3,6-Dibutanoylmorphine?
The CAS number of 3,6-Dibutanoylmorphine is 66641-03-0.
What is the molecular formula of 3,6-Dibutanoylmorphine?
The molecular formula of 3,6-Dibutanoylmorphine is C25H31NO5.
What is the molecular weight of 3,6-Dibutanoylmorphine?
The molecular weight of 3,6-Dibutanoylmorphine is 425.22 g/mol.
Where can I buy 3,6-Dibutanoylmorphine?
You can request a quote for 3,6-Dibutanoylmorphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,6-Dibutanoylmorphine?
Yes, KEHONG BIO provides custom synthesis services for 3,6-Dibutanoylmorphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.