Nalbuphine Hydrochloride
TL;DR: Nalbuphine Hydrochloride (CAS 59052-16-3) is a chemical compound with molecular formula C21H28ClNO4 and molecular weight 393.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride
Also Known As: NALBUPHINE HYDROCHLORIDE, Nubain, Nalbuphine HCL, nalbuphine, Nalbufina clorhidrato
| Molecular Formula | C21H28ClNO4 |
|---|---|
| Molecular Weight | 393.17 g/mol |
| LogP | 2.1291 |
| Topological Polar Surface Area | 73.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.1707 |
| Heavy Atoms | 27 |
| Complexity | 783.69025 |
Chemical Identifiers
| CAS Number | 59052-16-3 |
|---|---|
| SMILES | C1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O)O.Cl |
Product Overview
Nalbuphine Hydrochloride (CAS 59052-16-3), with molecular formula C21H28ClNO4 and molecular weight 393.17 g/mol. IUPAC: (4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol;hydrochloride.
Chemical Property Profile of Nalbuphine Hydrochloride
Property Insights of Nalbuphine Hydrochloride
The XLogP value of 2.1291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nalbuphine Hydrochloride. The TPSA of 73.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Nalbuphine Hydrochloride. Following Lipinski's Rule of Five, Nalbuphine Hydrochloride has 3 hydrogen bond donor(s) and 5 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 Nalbuphine Hydrochloride?
The CAS number of Nalbuphine Hydrochloride is 59052-16-3.
What is the molecular formula of Nalbuphine Hydrochloride?
The molecular formula of Nalbuphine Hydrochloride is C21H28ClNO4.
What is the molecular weight of Nalbuphine Hydrochloride?
The molecular weight of Nalbuphine Hydrochloride is 393.17 g/mol.
Where can I buy Nalbuphine Hydrochloride?
You can request a quote for Nalbuphine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nalbuphine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nalbuphine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.