Naltrexone-3-salicylate
TL;DR: Naltrexone-3-salicylate (CAS 110189-11-2) is a chemical compound with molecular formula C27H27NO6 and molecular weight 461.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-hydroxybenzoate
Also Known As: Naltrexone-3-salicylate, Antibiotic SF 2415B1, (5alpha)-17-(Cyclopropylmethyl)-4,5-epoxy-14-hydroxy-3-((2-hydroxybenzoyl)oxy)morphinan-6-one, 17-(Cyclopropylmethyl)-14-hydroxy-6-oxo-4,5-epoxymorphinan-3-yl 2-hydroxybenzoate, 17-(Cyclopropylmethyl)-14-hydroxy-6-oxo-5alpha-4,5-epoxymorphinan-3-yl 2-hydroxybenzoate
| Molecular Formula | C27H27NO6 |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 2.7446 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.18384 |
| Heavy Atoms | 34 |
| Complexity | 1237.6212 |
Chemical Identifiers
| CAS Number | 110189-11-2 |
|---|---|
| SMILES | C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)OC(=O)C7=CC=CC=C7O)O5)O |
Product Overview
Naltrexone-3-salicylate (CAS 110189-11-2), with molecular formula C27H27NO6 and molecular weight 461.18 g/mol. IUPAC: [(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] 2-hydroxybenzoate.
Chemical Property Profile of Naltrexone-3-salicylate
Property Insights of Naltrexone-3-salicylate
The XLogP value of 2.7446 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Naltrexone-3-salicylate. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Naltrexone-3-salicylate. Following Lipinski's Rule of Five, Naltrexone-3-salicylate has 2 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 Naltrexone-3-salicylate?
The CAS number of Naltrexone-3-salicylate is 110189-11-2.
What is the molecular formula of Naltrexone-3-salicylate?
The molecular formula of Naltrexone-3-salicylate is C27H27NO6.
What is the molecular weight of Naltrexone-3-salicylate?
The molecular weight of Naltrexone-3-salicylate is 461.18 g/mol.
Where can I buy Naltrexone-3-salicylate?
You can request a quote for Naltrexone-3-salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Naltrexone-3-salicylate?
Yes, KEHONG BIO provides custom synthesis services for Naltrexone-3-salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.