Nalmefene hydrochloride
TL;DR: Nalmefene hydrochloride (CAS 58895-64-0) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydrochloride
Also Known As: Nalmefene hydrochloride, (4S,4As,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydrochloride
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 2.93 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 618.0 |
Chemical Identifiers
| CAS Number | 58895-64-0 |
|---|---|
| SMILES | C=C1CC[C@]2([C@@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)O)CCN3CC6CC6)O.Cl |
| InChIKey | GYWMRGWFQPSQLK-IUDSPRNFSA-N |
Product Overview
Nalmefene hydrochloride (CAS 58895-64-0), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: (4S,4aS,7aS,12bS)-3-(cyclopropylmethyl)-7-methylidene-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol;hydrochloride.
Chemical Property Profile of Nalmefene hydrochloride
Property Insights of Nalmefene hydrochloride
The XLogP value of 2.93 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nalmefene hydrochloride. With a topological polar surface area (TPSA) of 52.9 Ų, Nalmefene hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nalmefene hydrochloride has 3 hydrogen bond donor(s) and 4 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 Nalmefene hydrochloride?
The CAS number of Nalmefene hydrochloride is 58895-64-0.
What is the molecular formula of Nalmefene hydrochloride?
The molecular formula of Nalmefene hydrochloride is C21H26ClNO3.
What is the molecular weight of Nalmefene hydrochloride?
The molecular weight of Nalmefene hydrochloride is 375.16 g/mol.
Where can I buy Nalmefene hydrochloride?
You can request a quote for Nalmefene hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nalmefene hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Nalmefene hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.