MRS 1334
TL;DR: MRS 1334 (CAS 192053-05-7) is a chemical compound with molecular formula C31H26N2O6 and molecular weight 522.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-[(4-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: MRS 1334, BRD-A06784547-001-01-8, BRD-A06784547-001-02-6, 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-ethyl ester O5-[(4-nitrophenyl)methyl] ester, 3-O-ethyl 5-O-[(4-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C31H26N2O6 |
|---|---|
| Molecular Weight | 522.18 g/mol |
| LogP | 5.1575 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 522.1791 |
| Heavy Atoms | 39 |
| Complexity | 1497.3789 |
Chemical Identifiers
| CAS Number | 192053-05-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C |
Product Overview
MRS 1334 (CAS 192053-05-7), with molecular formula C31H26N2O6 and molecular weight 522.18 g/mol. IUPAC: 3-O-ethyl 5-O-[(4-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of MRS 1334
Property Insights of MRS 1334
The XLogP value of 5.1575 indicates that MRS 1334 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for MRS 1334. Following Lipinski's Rule of Five, MRS 1334 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MRS 1334?
The CAS number of MRS 1334 is 192053-05-7.
What is the molecular formula of MRS 1334?
The molecular formula of MRS 1334 is C31H26N2O6.
What is the molecular weight of MRS 1334?
The molecular weight of MRS 1334 is 522.18 g/mol.
Where can I buy MRS 1334?
You can request a quote for MRS 1334 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MRS 1334?
Yes, KEHONG BIO provides custom synthesis services for MRS 1334 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.