J2.561.031H
TL;DR: J2.561.031H (CAS 62415-93-4) is a chemical compound with molecular formula C36H36N4O8 and molecular weight 652.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2,3,4-tris(1-ethoxycarbonyl-4-pyridinylidene)cyclobutylidene]pyridine-1-carboxylate
Also Known As: J2.561.031H, tetrakis(N-carboethoxy-4h-pyridin-4-ylidene)cyclobutane, ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate, ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclob, 4,4 ,4 ,4 -(Cyclobutane-1,2,3,4-tetraylidene)tetrakis(1,4-dihydropyridine-1-carboxylic acid ethyl) ester
| Molecular Formula | C36H36N4O8 |
|---|---|
| Molecular Weight | 652.25 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 652.2533 |
| Heavy Atoms | 48 |
| Complexity | 1430.0 |
Chemical Identifiers
| CAS Number | 62415-93-4 |
|---|---|
| SMILES | CCOC(=O)N1C=CC(=C2C(=C3C=CN(C=C3)C(=O)OCC)C(=C4C=CN(C=C4)C(=O)OCC)C2=C5C=CN(C=C5)C(=O)OCC)C=C1 |
| InChIKey | RRFZNTZTIXTQNT-UHFFFAOYSA-N |
Product Overview
J2.561.031H (CAS 62415-93-4), with molecular formula C36H36N4O8 and molecular weight 652.25 g/mol. IUPAC: ethyl 4-[2,3,4-tris(1-ethoxycarbonyl-4-pyridinylidene)cyclobutylidene]pyridine-1-carboxylate.
Chemical Property Profile of J2.561.031H
Property Insights of J2.561.031H
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.561.031H. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.561.031H. Following Lipinski's Rule of Five, J2.561.031H has 0 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 J2.561.031H?
The CAS number of J2.561.031H is 62415-93-4.
What is the molecular formula of J2.561.031H?
The molecular formula of J2.561.031H is C36H36N4O8.
What is the molecular weight of J2.561.031H?
The molecular weight of J2.561.031H is 652.25 g/mol.
Where can I buy J2.561.031H?
You can request a quote for J2.561.031H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.561.031H?
Yes, KEHONG BIO provides custom synthesis services for J2.561.031H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.