Oxymorphone fumarate methyl ester
TL;DR: Oxymorphone fumarate methyl ester (CAS 72782-06-0) is a chemical compound with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-[[(4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate
Also Known As: beta-Foa, Oxymorphone fumarate methyl ester, 2-Butenoic acid, 4-(((5alpha,6beta)-4,5-epoxy-3,14-dihydroxy-17-methylmorphinan-6-yl)amino)-4-oxo-, methyl ester, monohydrochloride, (E)-, methyl (E)-4-[[(4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate, methyl (E)-4-[[(4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl]amino]-4-oxobut-2-enoate
| Molecular Formula | C22H26N2O6 |
|---|---|
| Molecular Weight | 414.18 g/mol |
| LogP | 0.3901 |
| Topological Polar Surface Area | 108.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.17908 |
| Heavy Atoms | 30 |
| Complexity | 961.1913 |
Chemical Identifiers
| CAS Number | 72782-06-0 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@@H](CC[C@]2(C1CC5=C3C(=C(C=C5)O)O4)O)NC(=O)/C=C/C(=O)OC |
Product Overview
Oxymorphone fumarate methyl ester (CAS 72782-06-0), with molecular formula C22H26N2O6 and molecular weight 414.18 g/mol. IUPAC: methyl (E)-4-[[(4aS,7R,7aR,12bS)-4a,9-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-4-oxobut-2-enoate.
Chemical Property Profile of Oxymorphone fumarate methyl ester
Property Insights of Oxymorphone fumarate methyl ester
The XLogP value of 0.3901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxymorphone fumarate methyl ester. The TPSA of 108.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxymorphone fumarate methyl ester. Following Lipinski's Rule of Five, Oxymorphone fumarate methyl ester has 3 hydrogen bond donor(s) and 7 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 Oxymorphone fumarate methyl ester?
The CAS number of Oxymorphone fumarate methyl ester is 72782-06-0.
What is the molecular formula of Oxymorphone fumarate methyl ester?
The molecular formula of Oxymorphone fumarate methyl ester is C22H26N2O6.
What is the molecular weight of Oxymorphone fumarate methyl ester?
The molecular weight of Oxymorphone fumarate methyl ester is 414.18 g/mol.
Where can I buy Oxymorphone fumarate methyl ester?
You can request a quote for Oxymorphone fumarate methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxymorphone fumarate methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Oxymorphone fumarate methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.