10-Oxo-nalbuphine
TL;DR: 10-Oxo-nalbuphine (CAS 214542-41-3) is a chemical compound with molecular formula C21H25NO5 and molecular weight 371.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7,9-trihydroxy-2,4,5,6,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one
Also Known As: 10-Ketonalbuphine, 10-Oxo-nalbuphine, Nalbuphine Impurity 5, J1.014.450G, 17-(Cyclobutylmethyl)-4,5alpha-epoxy-3,6alpha,14-trihydroxymorphinan-10-one
| Molecular Formula | C21H25NO5 |
|---|---|
| Molecular Weight | 371.17 g/mol |
| LogP | 1.3475 |
| Topological Polar Surface Area | 90.23 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.17328 |
| Heavy Atoms | 27 |
| Complexity | 851.2189 |
Chemical Identifiers
| CAS Number | 214542-41-3 |
|---|---|
| SMILES | C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2C(=O)C6=C4C(=C(C=C6)O)O5)O)O |
Product Overview
10-Oxo-nalbuphine (CAS 214542-41-3), with molecular formula C21H25NO5 and molecular weight 371.17 g/mol. IUPAC: (4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7,9-trihydroxy-2,4,5,6,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one.
Chemical Property Profile of 10-Oxo-nalbuphine
Property Insights of 10-Oxo-nalbuphine
The XLogP value of 1.3475 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 10-Oxo-nalbuphine. The TPSA of 90.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 10-Oxo-nalbuphine. Following Lipinski's Rule of Five, 10-Oxo-nalbuphine has 3 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 10-Oxo-nalbuphine?
The CAS number of 10-Oxo-nalbuphine is 214542-41-3.
What is the molecular formula of 10-Oxo-nalbuphine?
The molecular formula of 10-Oxo-nalbuphine is C21H25NO5.
What is the molecular weight of 10-Oxo-nalbuphine?
The molecular weight of 10-Oxo-nalbuphine is 371.17 g/mol.
Where can I buy 10-Oxo-nalbuphine?
You can request a quote for 10-Oxo-nalbuphine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Oxo-nalbuphine?
Yes, KEHONG BIO provides custom synthesis services for 10-Oxo-nalbuphine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.