merbromin
TL;DR: merbromin (CAS 4386-92-9) is a chemical compound with molecular formula C20H11Br2HgO6 and molecular weight 706.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury;hydrate
Also Known As: merbromin, Spectrum2_000633, Spectrum3_000274, Spectrum4_000400, Spectrum5_001620
| Molecular Formula | C20H11Br2HgO6 |
|---|---|
| Molecular Weight | 706.86 g/mol |
| LogP | 3.841 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 706.86285 |
| Heavy Atoms | 29 |
| Complexity | 807.0 |
Chemical Identifiers
| CAS Number | 4386-92-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=C(C(=C(C=C24)Br)O)[Hg])Br)C(=O)O.O |
| InChIKey | NDMVPGYBWSZHHS-UHFFFAOYSA-N |
Product Overview
merbromin (CAS 4386-92-9), with molecular formula C20H11Br2HgO6 and molecular weight 706.86 g/mol. IUPAC: [2,7-dibromo-9-(2-carboxyphenyl)-3-hydroxy-6-oxoxanthen-4-yl]mercury;hydrate.
Chemical Property Profile of merbromin
Property Insights of merbromin
The XLogP value of 3.841 indicates that merbromin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for merbromin. Following Lipinski's Rule of Five, merbromin has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of merbromin?
The CAS number of merbromin is 4386-92-9.
What is the molecular formula of merbromin?
The molecular formula of merbromin is C20H11Br2HgO6.
What is the molecular weight of merbromin?
The molecular weight of merbromin is 706.86 g/mol.
Where can I buy merbromin?
You can request a quote for merbromin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for merbromin?
Yes, KEHONG BIO provides custom synthesis services for merbromin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.