Bromopapaverine
TL;DR: Bromopapaverine (CAS 51449-18-4) is a chemical compound with molecular formula C36H38N2NiS4-4 and molecular weight 684.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate);nickel
Also Known As: Bromopapaverine, (Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate,nickel, (Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate;nickel, Nickel, bis[1-[4-(diethylamino)phenyl]-2-phenyl-1,2-ethenedithiolato(2-)-.kappa.S,.kappa.S']-
| Molecular Formula | C36H38N2NiS4-4 |
|---|---|
| Molecular Weight | 684.13 g/mol |
| LogP | 8.9023 |
| Topological Polar Surface Area | 10.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 684.12714 |
| Heavy Atoms | 43 |
| Complexity | 745.0 |
Chemical Identifiers
| CAS Number | 51449-18-4 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[S-])[S-].CCN(CC)C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[S-])[S-].[Ni] |
| InChIKey | QZMPBEHDACBVDY-UHFFFAOYSA-J |
Product Overview
Bromopapaverine (CAS 51449-18-4), with molecular formula C36H38N2NiS4-4 and molecular weight 684.13 g/mol. IUPAC: bis(1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate);nickel.
Chemical Property Profile of Bromopapaverine
Property Insights of Bromopapaverine
The XLogP value of 8.9023 indicates that Bromopapaverine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 10.5 Ų, Bromopapaverine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bromopapaverine has 0 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 Bromopapaverine?
The CAS number of Bromopapaverine is 51449-18-4.
What is the molecular formula of Bromopapaverine?
The molecular formula of Bromopapaverine is C36H38N2NiS4-4.
What is the molecular weight of Bromopapaverine?
The molecular weight of Bromopapaverine is 684.13 g/mol.
Where can I buy Bromopapaverine?
You can request a quote for Bromopapaverine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bromopapaverine?
Yes, KEHONG BIO provides custom synthesis services for Bromopapaverine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.