Hybromet
TL;DR: Hybromet (CAS 95461-73-7) is a chemical compound with molecular formula C35H45BrHgNO6+ and molecular weight 856.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl)-4-[4-(2-methoxypropoxy)phenyl]butan-2-ol;mercury(2+);bromide
Also Known As: Hybromet, 2-(11,15-Dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl)-4-[4-(2-methoxypropoxy)phenyl]butan-2-ol;mercury(2+);bromide, Mercury, bromo(3-(4-(3-((5alpha,7alpha)-4,5-epoxy-3,6-dimethoxy-17-methyl-6,14-ethenomorphinan-7-yl)-(3R)-3-hydroxybutyl)phenoxy)-2-methoxypropyl)-, (1-Hydroxy-1-methyl-3-(4-(3-(bromomercurio)-2-methoxypropoxy)phenyl)propyl)-6,14-endo-ethenotetrahydrothebaine, RefChem:146966
| Molecular Formula | C35H45BrHgNO6+ |
|---|---|
| Molecular Weight | 856.21 g/mol |
| LogP | 1.7145 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 856.2137 |
| Heavy Atoms | 44 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 95461-73-7 |
|---|---|
| SMILES | CC(COC1=CC=C(C=C1)CCC(C)(C2CC34C=CC2(C5C36CCN(C4CC7=C6C(=C(C=C7)OC)O5)C)OC)O)OC.[Br-].[Hg+2] |
| InChIKey | CLJCCYBXXQEZBO-UHFFFAOYSA-M |
Product Overview
Hybromet (CAS 95461-73-7), with molecular formula C35H45BrHgNO6+ and molecular weight 856.21 g/mol. IUPAC: 2-(11,15-dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl)-4-[4-(2-methoxypropoxy)phenyl]butan-2-ol;mercury(2+);bromide.
Chemical Property Profile of Hybromet
Property Insights of Hybromet
The XLogP value of 1.7145 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hybromet. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Hybromet. Following Lipinski's Rule of Five, Hybromet has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hybromet?
The CAS number of Hybromet is 95461-73-7.
What is the molecular formula of Hybromet?
The molecular formula of Hybromet is C35H45BrHgNO6+.
What is the molecular weight of Hybromet?
The molecular weight of Hybromet is 856.21 g/mol.
Where can I buy Hybromet?
You can request a quote for Hybromet directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hybromet?
Yes, KEHONG BIO provides custom synthesis services for Hybromet and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.