Nalmexone Hydrochloride
TL;DR: Nalmexone Hydrochloride (CAS 16291-05-7) is a chemical compound with molecular formula C21H26ClNO4 and molecular weight 391.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(3-methylbut-2-enyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride
Also Known As: Nalmexone hydrochloride, Nalmexone HCl, Nalmexone hydrochloride [USAN], Nalmexone hydrochloride (USAN), 7,8-Dihydro-14-hydroxy-N-(3-methyl-2-butenyl)normorphinone hydrochloride
| Molecular Formula | C21H26ClNO4 |
|---|---|
| Molecular Weight | 391.16 g/mol |
| LogP | 2.5034 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.15503 |
| Heavy Atoms | 27 |
| Complexity | 848.8285 |
Chemical Identifiers
| CAS Number | 16291-05-7 |
|---|---|
| SMILES | CC(=CCN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)C.Cl |
Product Overview
Nalmexone Hydrochloride (CAS 16291-05-7), with molecular formula C21H26ClNO4 and molecular weight 391.16 g/mol. IUPAC: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-(3-methylbut-2-enyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride.
Chemical Property Profile of Nalmexone Hydrochloride
Property Insights of Nalmexone Hydrochloride
The XLogP value of 2.5034 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nalmexone Hydrochloride. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nalmexone Hydrochloride. Following Lipinski's Rule of Five, Nalmexone Hydrochloride has 2 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 Nalmexone Hydrochloride?
The CAS number of Nalmexone Hydrochloride is 16291-05-7.
What is the molecular formula of Nalmexone Hydrochloride?
The molecular formula of Nalmexone Hydrochloride is C21H26ClNO4.
What is the molecular weight of Nalmexone Hydrochloride?
The molecular weight of Nalmexone Hydrochloride is 391.16 g/mol.
Where can I buy Nalmexone Hydrochloride?
You can request a quote for Nalmexone Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nalmexone Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nalmexone Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.