4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone
TL;DR: 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone (CAS 92398-22-6) is a chemical compound with molecular formula C21H23NO5 and molecular weight 369.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one
Also Known As: 6-Dsmb-oxymorphone, 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone, (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one, (4R,4aS,7aR,12bS)-4a,9-Dihydroxy-3-methyl-4'-methylidene-2,3,4,4a,5,6-hexahydro-1H,7aH-spiro[4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,2'-oxolan]-5'-one, 4a,9-Dihydroxy-3-methyl-4'-methylidene-2,3,4,4a,5,6-hexahydro-1H,7aH-spiro[4,12-methano[1]benzofuro[3,2-e]isoquinoline-7,2'-oxolan]-5'-one
| Molecular Formula | C21H23NO5 |
|---|---|
| Molecular Weight | 369.16 g/mol |
| LogP | 1.418 |
| Topological Polar Surface Area | 79.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 369.15762 |
| Heavy Atoms | 27 |
| Complexity | 909.3922 |
Chemical Identifiers
| CAS Number | 92398-22-6 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4C5(CC[C@]2([C@H]1CC6=C3C(=C(C=C6)O)O4)O)CC(=C)C(=O)O5 |
Product Overview
4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone (CAS 92398-22-6), with molecular formula C21H23NO5 and molecular weight 369.16 g/mol. IUPAC: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-methyl-3'-methylidenespiro[2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,5'-oxolane]-2'-one.
Chemical Property Profile of 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone
Property Insights of 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone
The XLogP value of 1.418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone. The TPSA of 79.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone. Following Lipinski's Rule of Five, 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone has 2 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 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone?
The CAS number of 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone is 92398-22-6.
What is the molecular formula of 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone?
The molecular formula of 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone is C21H23NO5.
What is the molecular weight of 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone?
The molecular weight of 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone is 369.16 g/mol.
Where can I buy 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone?
You can request a quote for 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Epoxy-3,6,14-trihydroxy-6-(2-carboxyallyl)-17-methylmorphinan gamma-lactone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.