Morphine 3-nicotinate
TL;DR: Morphine 3-nicotinate (CAS 83465-15-0) is a chemical compound with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] pyridine-3-carboxylate
Also Known As: Morphine 3-nicotinate, 3-Nicotinoylmorphine, 3-Mononicotinoylmorphine, [(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] pyridine-3-carboxylate, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, 3-(3-pyridinecarboxylate)
| Molecular Formula | C23H22N2O4 |
|---|---|
| Molecular Weight | 390.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.15796 |
| Heavy Atoms | 29 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 83465-15-0 |
|---|---|
| SMILES | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC(=O)C6=CN=CC=C6)O[C@H]3[C@H](C=C4)O |
| InChIKey | RPXDXNICIYHIEN-NNVHCVSOSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Morphine 3-nicotinate (CAS 83465-15-0), with molecular formula C23H22N2O4 and molecular weight 390.16 g/mol. IUPAC: [(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] pyridine-3-carboxylate.
Chemical Property Profile of Morphine 3-nicotinate
Property Insights of Morphine 3-nicotinate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morphine 3-nicotinate. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Morphine 3-nicotinate. Following Lipinski's Rule of Five, Morphine 3-nicotinate has 1 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 Morphine 3-nicotinate?
The CAS number of Morphine 3-nicotinate is 83465-15-0.
What is the molecular formula of Morphine 3-nicotinate?
The molecular formula of Morphine 3-nicotinate is C23H22N2O4.
What is the molecular weight of Morphine 3-nicotinate?
The molecular weight of Morphine 3-nicotinate is 390.16 g/mol.
Where can I buy Morphine 3-nicotinate?
You can request a quote for Morphine 3-nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morphine 3-nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Morphine 3-nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.