SM 304
TL;DR: SM 304 (CAS 337-76-8) is a chemical compound with molecular formula C44H50Br2N2O4 and molecular weight 828.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-[[4-[4-[(3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl]phenyl]methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate dibromide
Also Known As: SM 304, Biphenyl-(4,4')-bis-methyl-(3-alpha-benzoyloxy)-tropaniumbromid [German], Biphenyl-(4,4')-bis-methyl-(3-alpha-benzoyloxy)-tropaniumbromid, 1-alpha-H,5-alpha-H-Tropanium, 4,4'-biphenylenebis(3-alpha-hydroxy-8-methyl-, dibromide, benzylate (ester), 8,8'-(biphenyl-4,4'-diyldimethanediyl)bis[3-(benzoyloxy)-8-methyl-8-azoniabicyclo[3.2.1]octane] dibromide
| Molecular Formula | C44H50Br2N2O4 |
|---|---|
| Molecular Weight | 828.21 g/mol |
| LogP | 2.36 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 830.2117 |
| Heavy Atoms | 52 |
| Complexity | 1040.0 |
Chemical Identifiers
| CAS Number | 337-76-8 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)C5=CC=C(C=C5)C[N+]6(C7CCC6CC(C7)OC(=O)C8=CC=CC=C8)C.[Br-].[Br-] |
| InChIKey | LKNHUUROZDLGSK-UHFFFAOYSA-L |
Product Overview
SM 304 (CAS 337-76-8), with molecular formula C44H50Br2N2O4 and molecular weight 828.21 g/mol. IUPAC: [8-[[4-[4-[(3-benzoyloxy-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl)methyl]phenyl]phenyl]methyl]-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] benzoate dibromide.
Chemical Property Profile of SM 304
Property Insights of SM 304
The XLogP value of 2.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for SM 304. With a topological polar surface area (TPSA) of 52.6 Ų, SM 304 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, SM 304 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 SM 304?
The CAS number of SM 304 is 337-76-8.
What is the molecular formula of SM 304?
The molecular formula of SM 304 is C44H50Br2N2O4.
What is the molecular weight of SM 304?
The molecular weight of SM 304 is 828.21 g/mol.
Where can I buy SM 304?
You can request a quote for SM 304 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for SM 304?
Yes, KEHONG BIO provides custom synthesis services for SM 304 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.