Nalbuphine 3-acetylsalicylate
TL;DR: Nalbuphine 3-acetylsalicylate (CAS 118776-11-7) is a chemical compound with molecular formula C30H33NO7 and molecular weight 519.2257 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-acetyloxybenzoate
Also Known As: Nalbuphine 3-acetylsalicylate, [(4S,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-acetyloxybenzoate, Morphinan-3,6,14-triol, 17-(cyclobutylmethyl)-4,5-epoxy-, 3-(2-(acetyloxy)benzoate), (5alpha,6alpha)-, 17-(Cyclobutylmethyl)-6,14-dihydroxy-4,5-epoxymorphinan-3-yl 2-(acetyloxy)benzoate
Technical Specifications
| Molecular Formula | C30H33NO7 |
| Molecular Weight | 519.2257 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 519.2257 Da |
| Heavy Atoms | 38 |
| Complexity | 955.0 |
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC2=C3C4=C(C[C@H]5[C@]6([C@]4(CCN5CC7CCC7)[C@@H](O3)[C@H](CC6)O)O)C=C2 |
| InChIKey | MTRORSPXFPXAFS-KRKZQTBPSA-N |
Chemical Property Profile of Nalbuphine 3-acetylsalicylate
Property Insights of Nalbuphine 3-acetylsalicylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nalbuphine 3-acetylsalicylate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nalbuphine 3-acetylsalicylate. Following Lipinski's Rule of Five, Nalbuphine 3-acetylsalicylate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Nalbuphine 3-acetylsalicylate?
The CAS number of Nalbuphine 3-acetylsalicylate is 118776-11-7.
What is the molecular formula of Nalbuphine 3-acetylsalicylate?
The molecular formula of Nalbuphine 3-acetylsalicylate is C30H33NO7.
What is the molecular weight of Nalbuphine 3-acetylsalicylate?
The molecular weight of Nalbuphine 3-acetylsalicylate is 519.2257 g/mol.
Where can I buy Nalbuphine 3-acetylsalicylate?
You can request a quote for Nalbuphine 3-acetylsalicylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nalbuphine 3-acetylsalicylate?
Yes, CoreyChem provides custom synthesis services for Nalbuphine 3-acetylsalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.